 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer00_STD_B3LYPDBJ_def2SVPD.in
 Output=31_naproxen_conformer00_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/31_naproxen/Gau-10777.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/31_naproxen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     10779.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer00_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Sep 23 13:03:26 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer00_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 3.352380000000      0.081536000000     -0.094047000000
  C                                                 2.853162000000     -1.229651000000      0.086888000000
  C                                                 2.486454000000      1.151296000000     -0.114829000000
  C                                                 1.100546000000      0.960772000000      0.042252000000
  C                                                 0.590185000000     -0.359596000000      0.227036000000
  C                                                 1.505764000000     -1.433604000000      0.242412000000
  C                                                 0.178320000000      2.035716000000      0.022349000000
  C                                                -1.162617000000      1.813105000000      0.178068000000
  C                                                -1.675581000000      0.507253000000      0.370446000000
  C                                                -0.800954000000     -0.550815000000      0.386518000000
  C                                                -3.175000000000      0.316508000000      0.539158000000
  O                                                 4.675062000000      0.363691000000     -0.254438000000
  C                                                 5.607556000000     -0.703149000000     -0.244694000000
  H                                                 3.524663000000     -2.074808000000      0.103947000000
  H                                                 2.886450000000      2.147038000000     -0.255665000000
  H                                                 1.129072000000     -2.439742000000      0.380890000000
  H                                                 0.550726000000      3.042648000000     -0.120102000000
  H                                                -1.852677000000      2.647425000000      0.153954000000
  H                                                -1.168601000000     -1.561255000000      0.512106000000
  H                                                -3.627638000000      1.305010000000      0.609167000000
  C                                                -3.546747000000     -0.494005000000      1.785225000000
  C                                                -3.751553000000     -0.273210000000     -0.735630000000
  H                                                 6.583819000000     -0.246740000000     -0.388953000000
  H                                                 5.417122000000     -1.410440000000     -1.057092000000
  H                                                 5.597238000000     -1.237035000000      0.709988000000
  H                                                -3.163624000000      0.008881000000      2.673322000000
  H                                                -3.125429000000     -1.496647000000      1.749497000000
  H                                                -4.629967000000     -0.586055000000      1.879701000000
  O                                                -4.295658000000      0.357517000000     -1.603525000000
  O                                                -3.574263000000     -1.613892000000     -0.819614000000
  H                                                -3.933780000000     -1.889738000000     -1.677049000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          16          12           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           1           1           1           1           1           1           1
 AtZEff=   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12           1           1           1           1           1           1          16          16
 AtmWgt=  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146
 NucSpn=           0           0           1           1           1           1           1           1           0           0
 AtZEff=   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Sep 23 13:03:26 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        3.352380    0.081536   -0.094047
      2          6           0        2.853162   -1.229651    0.086888
      3          6           0        2.486454    1.151296   -0.114829
      4          6           0        1.100546    0.960772    0.042252
      5          6           0        0.590185   -0.359596    0.227036
      6          6           0        1.505764   -1.433604    0.242412
      7          6           0        0.178320    2.035716    0.022349
      8          6           0       -1.162617    1.813105    0.178068
      9          6           0       -1.675581    0.507253    0.370446
     10          6           0       -0.800954   -0.550815    0.386518
     11          6           0       -3.175000    0.316508    0.539158
     12          8           0        4.675062    0.363691   -0.254438
     13          6           0        5.607556   -0.703149   -0.244694
     14          1           0        3.524663   -2.074808    0.103947
     15          1           0        2.886450    2.147038   -0.255665
     16          1           0        1.129072   -2.439742    0.380890
     17          1           0        0.550726    3.042648   -0.120102
     18          1           0       -1.852677    2.647425    0.153954
     19          1           0       -1.168601   -1.561255    0.512106
     20          1           0       -3.627638    1.305010    0.609167
     21          6           0       -3.546747   -0.494005    1.785225
     22          6           0       -3.751553   -0.273210   -0.735630
     23          1           0        6.583819   -0.246740   -0.388953
     24          1           0        5.417122   -1.410440   -1.057092
     25          1           0        5.597238   -1.237035    0.709988
     26          1           0       -3.163624    0.008881    2.673322
     27          1           0       -3.125429   -1.496647    1.749497
     28          1           0       -4.629967   -0.586055    1.879701
     29          8           0       -4.295658    0.357517   -1.603525
     30          8           0       -3.574263   -1.613892   -0.819614
     31          1           0       -3.933780   -1.889738   -1.677049
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.414626   0.000000
     3  C    1.376461   2.417452   0.000000
     4  C    2.421237   2.805639   1.407734   0.000000
     5  C    2.815566   2.428518   2.448572   1.427580   0.000000
     6  C    2.412228   1.371592   2.787666   2.436658   1.411387
     7  C    3.729212   4.221560   2.475581   1.416475   2.439067
     8  C    4.843302   5.039163   3.720148   2.422153   2.792014
     9  C    5.067285   4.858678   4.239436   2.832008   2.430162
    10  C    4.228592   3.728694   3.735717   2.453389   1.413247
    11  C    6.562229   6.239703   5.759916   4.352274   3.838119
    12  O    1.361919   2.444292   2.330197   3.636165   4.176264
    13  C    2.392539   2.823798   3.632783   4.812911   5.051195
    14  H    2.172257   1.079581   3.396099   3.885215   3.401215
    15  H    2.123561   3.394183   1.082282   2.164586   3.433518
    16  H    3.394924   2.126792   3.870888   3.417453   2.154316
    17  H    4.076534   4.857633   2.706341   2.159368   3.420135
    18  H    5.808434   6.097634   4.597685   3.402764   3.874931
    19  H    4.848242   4.057752   4.594606   3.424969   2.149088
    20  H    7.121239   6.978399   6.158727   4.774476   4.550491
    21  C    7.173623   6.662159   6.535804   5.172201   4.422694
    22  C    7.141662   6.724104   6.428635   5.066624   4.448019
    23  H    3.261431   3.887202   4.337977   5.631190   6.026261
    24  H    2.723345   2.813408   4.004893   5.046190   5.104173
    25  H    2.724792   2.813941   4.007671   5.049403   5.106243
    26  H    7.079683   6.665232   6.403302   5.100174   4.495684
    27  H    6.917465   6.211208   6.479239   5.178075   4.173315
    28  H    8.249801   7.721762   7.592100   6.213507   5.480198
    29  O    7.800460   7.515466   6.988801   5.673757   5.266561
    30  O    7.167936   6.502398   6.698901   5.406066   4.473406
    31  H    7.712324   7.043420   7.273776   6.035382   5.141316
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.721118   0.000000
     8  C    4.203037   1.368180   0.000000
     9  C    3.728844   2.427822   1.416118   0.000000
    10  C    2.474072   2.789577   2.400494   1.372858   0.000000
    11  C    5.006047   3.803620   2.533747   1.520889   2.532122
    12  O    3.677170   4.805514   6.030453   6.382927   5.588729
    13  C    4.194703   6.086813   7.235019   7.408614   6.441322
    14  H    2.122797   5.301045   6.090317   5.812108   4.594928
    15  H    3.869803   2.724638   4.085900   4.888050   4.613866
    16  H    1.083230   4.589358   4.835254   4.068288   2.700570
    17  H    4.591334   1.083001   2.129842   3.409591   3.872555
    18  H    5.285996   2.125196   1.082984   2.158372   3.374751
    19  H    2.690959   3.871984   3.390859   2.134437   1.082555
    20  H    5.829780   3.919643   2.553495   2.122247   3.388776
    21  C    5.365723   4.835633   3.686433   2.550565   3.082043
    22  C    5.471971   4.620560   3.448209   2.478343   3.168961
    23  H    5.252991   6.812429   8.035655   8.328438   7.431601
    24  H    4.121646   6.362879   7.430332   7.484774   6.441074
    25  H    4.122793   6.367764   7.435182   7.486770   6.443011
    26  H    5.458321   4.722744   3.672267   2.786734   3.335407
    27  H    4.870650   5.135697   4.156498   2.831864   2.855783
    28  H    6.406735   5.782998   4.546871   3.493075   4.110009
    29  O    6.346030   5.047405   3.886998   3.283868   4.122899
    30  O    5.192983   5.301926   4.307634   3.085529   3.205640
    31  H    5.786279   5.933507   4.983157   3.877791   3.983167
                   11         12         13         14         15
    11  C    0.000000
    12  O    7.890215   0.000000
    13  C    8.876227   1.416964   0.000000
    14  H    7.126941   2.719951   2.518222   0.000000
    15  H    6.381517   2.525759   3.940572   4.284929   0.000000
    16  H    5.113414   4.564748   4.843958   2.439002   4.952992
    17  H    4.663421   4.919858   6.294287   5.923078   2.505215
    18  H    2.707415   6.927741   8.187817   7.156659   4.783043
    19  H    2.748156   6.200113   6.872074   4.738888   5.548364
    20  H    1.089458   8.400400   9.489499   7.926779   6.624975
    21  C    1.532257   8.514341   9.378997   7.438446   7.247507
    22  C    1.518310   8.464339   9.381833   7.542809   7.081741
    23  H    9.819022   2.008500   1.087294   3.597668   4.406640
    24  H    8.908138   2.083854   1.093854   2.317498   4.438720
    25  H    8.910378   2.083951   1.093873   2.316186   4.442162
    26  H    2.156251   8.375122   9.271214   7.461677   7.053657
    27  H    2.180575   8.265850   8.992856   6.875015   7.310253
    28  H    2.174535   9.593755  10.456273   8.477481   8.278050
    29  O    2.418398   9.071598  10.052118   8.365948   7.523416
    30  O    2.394184   8.501860   9.244771   7.173574   7.496896
    31  H    3.217894   9.011877   9.720943   7.670370   8.051797
                   16         17         18         19         20
    16  H    0.000000
    17  H    5.535529   0.000000
    18  H    5.900983   2.451052   0.000000
    19  H    2.463383   4.954967   4.278927   0.000000
    20  H    6.058182   4.583661   2.271516   3.777798   0.000000
    21  C    5.255600   5.738246   3.924220   2.900937   2.150840
    22  C    5.455362   5.466571   3.595441   3.144447   2.077164
    23  H    5.929265   6.876814   8.935626   7.914536  10.376802
    24  H    4.638386   6.662564   8.413256   6.771770   9.589461
    25  H    4.638892   6.668734   8.420180   6.776493   9.569247
    26  H    5.447774   5.550077   3.876559   3.334111   2.481128
    27  H    4.567635   6.133084   4.619414   2.316136   3.066243
    28  H    6.232906   6.633723   4.598580   3.847387   2.488985
    29  O    6.417964   5.735670   3.781609   4.235099   2.497999
    30  O    4.923880   6.260049   4.697927   2.750174   3.250270
    31  H    5.492730   6.845678   5.316899   3.542106   3.940421
                   21         22         23         24         25
    21  C    0.000000
    22  C    2.538780   0.000000
    23  H   10.364196  10.341218   0.000000
    24  H    9.448257   9.244524   1.778142   0.000000
    25  H    9.236920   9.508873   1.778116   1.784680   0.000000
    26  H    1.090135   3.470762  10.220348   9.463597   9.064198
    27  H    1.088153   2.839839  10.020216   8.992194   8.788225
    28  H    1.091222   2.776588  11.446000  10.499922  10.314443
    29  O    3.573455   1.202958  10.963728   9.887485  10.284179
    30  O    2.835505   1.354959  10.258714   8.996821   9.305812
    31  H    3.753026   1.879532  10.722804   9.383680   9.847044
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766784   0.000000
    28  H    1.770295   1.763453   0.000000
    29  O    4.437845   4.006260   3.624218   0.000000
    30  O    3.873321   2.610657   3.075266   2.240844   0.000000
    31  H    4.808703   3.542481   3.851589   2.277392   0.969814
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.46D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        3.352380    0.081536   -0.094047
      2          6           0        2.853162   -1.229651    0.086888
      3          6           0        2.486454    1.151296   -0.114829
      4          6           0        1.100546    0.960772    0.042252
      5          6           0        0.590185   -0.359596    0.227036
      6          6           0        1.505764   -1.433604    0.242412
      7          6           0        0.178320    2.035716    0.022349
      8          6           0       -1.162617    1.813105    0.178068
      9          6           0       -1.675581    0.507253    0.370446
     10          6           0       -0.800954   -0.550815    0.386518
     11          6           0       -3.175000    0.316508    0.539158
     12          8           0        4.675062    0.363691   -0.254438
     13          6           0        5.607556   -0.703149   -0.244694
     14          1           0        3.524663   -2.074808    0.103947
     15          1           0        2.886450    2.147038   -0.255665
     16          1           0        1.129072   -2.439742    0.380890
     17          1           0        0.550726    3.042648   -0.120102
     18          1           0       -1.852677    2.647425    0.153954
     19          1           0       -1.168601   -1.561255    0.512106
     20          1           0       -3.627638    1.305010    0.609167
     21          6           0       -3.546747   -0.494005    1.785225
     22          6           0       -3.751553   -0.273210   -0.735630
     23          1           0        6.583819   -0.246740   -0.388953
     24          1           0        5.417122   -1.410440   -1.057092
     25          1           0        5.597238   -1.237035    0.709988
     26          1           0       -3.163624    0.008881    2.673322
     27          1           0       -3.125429   -1.496647    1.749497
     28          1           0       -4.629967   -0.586055    1.879701
     29          8           0       -4.295658    0.357517   -1.603525
     30          8           0       -3.574263   -1.613892   -0.819614
     31          1           0       -3.933780   -1.889738   -1.677049
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.2770957           0.2099576           0.1981845
 Leave Link  202 at Thu Sep 23 13:03:27 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     23     24     25
 Centers:      26     27     28     31
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     13     21     22
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      12     29     30
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   461 symmetry adapted basis functions of A   symmetry.
   461 basis functions,   693 primitive gaussians,   495 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1132.7082601997 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0634084600 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1132.6448517396 Hartrees.
 Leave Link  301 at Thu Sep 23 13:03:28 2021, MaxMem=  5368709120 cpu:               7.5 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   461 RedAO= T EigKep=  4.27D-06  NBF=   461
 NBsUse=   461 1.00D-06 EigRej= -1.00D+00 NBFU=   461
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   493   493   493   493   493 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Sep 23 13:03:30 2021, MaxMem=  5368709120 cpu:               8.7 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Sep 23 13:03:30 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer00_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Sep 23 13:03:32 2021, MaxMem=  5368709120 cpu:               9.5 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368210351 LenY=  5367964831
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 910000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.156304445762    
 DIIS: error= 2.62D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.156304445762     IErMin= 1 ErrMin= 2.62D-03
 ErrMax= 2.62D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-02 BMatP= 1.32D-02
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.62D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.161 Goal=   None    Shift=    0.000
 GapD=    0.161 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.56D-02 MaxDP=1.22D+00              OVMax= 1.41D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.33D-02    CP:  1.26D+00
 E= -767.167704579289     Delta-E=       -0.011400133528 Rises=F Damp=F
 DIIS: error= 8.78D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.167704579289     IErMin= 2 ErrMin= 8.78D-04
 ErrMax= 8.78D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.18D-04 BMatP= 1.32D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.78D-03
 Coeff-Com:  0.567D-01 0.943D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.562D-01 0.944D+00
 Gap=     0.162 Goal=   None    Shift=    0.000
 RMSDP=8.10D-04 MaxDP=7.29D-02 DE=-1.14D-02 OVMax= 6.78D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.99D-04    CP:  1.27D+00  1.04D+00
 E= -767.167341651613     Delta-E=        0.000362927677 Rises=F Damp=F
 DIIS: error= 1.15D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -767.167704579289     IErMin= 2 ErrMin= 8.78D-04
 ErrMax= 1.15D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-03 BMatP= 6.18D-04
 IDIUse=3 WtCom= 2.28D-01 WtEn= 7.72D-01
 Coeff-Com: -0.153D-01 0.586D+00 0.430D+00
 Coeff-En:   0.000D+00 0.619D+00 0.381D+00
 Coeff:     -0.347D-02 0.612D+00 0.392D+00
 Gap=     0.161 Goal=   None    Shift=    0.000
 RMSDP=1.30D-04 MaxDP=5.61D-03 DE= 3.63D-04 OVMax= 5.03D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.10D-04    CP:  1.27D+00  1.04D+00  7.71D-01
 E= -767.168187795820     Delta-E=       -0.000846144207 Rises=F Damp=F
 DIIS: error= 1.60D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.168187795820     IErMin= 4 ErrMin= 1.60D-04
 ErrMax= 1.60D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.86D-05 BMatP= 6.18D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.60D-03
 Coeff-Com: -0.103D-01 0.295D+00 0.204D+00 0.512D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.103D-01 0.294D+00 0.204D+00 0.512D+00
 Gap=     0.161 Goal=   None    Shift=    0.000
 RMSDP=5.03D-05 MaxDP=2.24D-03 DE=-8.46D-04 OVMax= 1.15D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.68D-05    CP:  1.27D+00  1.04D+00  7.15D-01  8.71D-01
 E= -767.168204212154     Delta-E=       -0.000016416334 Rises=F Damp=F
 DIIS: error= 3.54D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.168204212154     IErMin= 5 ErrMin= 3.54D-05
 ErrMax= 3.54D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.05D-06 BMatP= 1.86D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.406D-02 0.944D-01 0.652D-01 0.268D+00 0.577D+00
 Coeff:     -0.406D-02 0.944D-01 0.652D-01 0.268D+00 0.577D+00
 Gap=     0.161 Goal=   None    Shift=    0.000
 RMSDP=1.48D-05 MaxDP=6.62D-04 DE=-1.64D-05 OVMax= 4.89D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.24D-05    CP:  1.27D+00  1.04D+00  7.21D-01  8.58D-01  8.31D-01
 E= -767.168205382683     Delta-E=       -0.000001170529 Rises=F Damp=F
 DIIS: error= 2.63D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.168205382683     IErMin= 6 ErrMin= 2.63D-05
 ErrMax= 2.63D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.92D-07 BMatP= 2.05D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.868D-03 0.107D-01 0.779D-02 0.852D-01 0.395D+00 0.502D+00
 Coeff:     -0.868D-03 0.107D-01 0.779D-02 0.852D-01 0.395D+00 0.502D+00
 Gap=     0.161 Goal=   None    Shift=    0.000
 RMSDP=6.41D-06 MaxDP=3.28D-04 DE=-1.17D-06 OVMax= 2.22D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.45D-06    CP:  1.27D+00  1.04D+00  7.24D-01  8.63D-01  8.19D-01
                    CP:  7.29D-01
 E= -767.168205942737     Delta-E=       -0.000000560054 Rises=F Damp=F
 DIIS: error= 6.23D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.168205942737     IErMin= 7 ErrMin= 6.23D-06
 ErrMax= 6.23D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.88D-08 BMatP= 6.92D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.164D-03-0.878D-03-0.488D-03 0.256D-01 0.166D+00 0.263D+00
 Coeff-Com:  0.548D+00
 Coeff:     -0.164D-03-0.878D-03-0.488D-03 0.256D-01 0.166D+00 0.263D+00
 Coeff:      0.548D+00
 Gap=     0.161 Goal=   None    Shift=    0.000
 RMSDP=1.61D-06 MaxDP=7.34D-05 DE=-5.60D-07 OVMax= 6.09D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.12D-06    CP:  1.27D+00  1.04D+00  7.25D-01  8.62D-01  8.38D-01
                    CP:  7.04D-01  8.10D-01
 E= -767.168205962129     Delta-E=       -0.000000019392 Rises=F Damp=F
 DIIS: error= 2.01D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.168205962129     IErMin= 8 ErrMin= 2.01D-06
 ErrMax= 2.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.16D-09 BMatP= 2.88D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.190D-06-0.168D-02-0.119D-02 0.492D-02 0.492D-01 0.949D-01
 Coeff-Com:  0.341D+00 0.513D+00
 Coeff:      0.190D-06-0.168D-02-0.119D-02 0.492D-02 0.492D-01 0.949D-01
 Coeff:      0.341D+00 0.513D+00
 Gap=     0.161 Goal=   None    Shift=    0.000
 RMSDP=7.83D-07 MaxDP=3.00D-05 DE=-1.94D-08 OVMax= 2.86D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.62D-07    CP:  1.27D+00  1.04D+00  7.25D-01  8.66D-01  8.37D-01
                    CP:  7.13D-01  7.75D-01  7.12D-01
 E= -767.168205966809     Delta-E=       -0.000000004679 Rises=F Damp=F
 DIIS: error= 4.28D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.168205966809     IErMin= 9 ErrMin= 4.28D-07
 ErrMax= 4.28D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.71D-10 BMatP= 5.16D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.135D-04-0.814D-03-0.592D-03 0.472D-03 0.123D-01 0.283D-01
 Coeff-Com:  0.136D+00 0.265D+00 0.559D+00
 Coeff:      0.135D-04-0.814D-03-0.592D-03 0.472D-03 0.123D-01 0.283D-01
 Coeff:      0.136D+00 0.265D+00 0.559D+00
 Gap=     0.161 Goal=   None    Shift=    0.000
 RMSDP=2.64D-07 MaxDP=1.24D-05 DE=-4.68D-09 OVMax= 8.17D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.47D-07    CP:  1.27D+00  1.04D+00  7.25D-01  8.65D-01  8.37D-01
                    CP:  7.11D-01  7.85D-01  7.26D-01  7.10D-01
 E= -767.168205967043     Delta-E=       -0.000000000234 Rises=F Damp=F
 DIIS: error= 1.65D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.168205967043     IErMin=10 ErrMin= 1.65D-07
 ErrMax= 1.65D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.85D-11 BMatP= 2.71D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.856D-05-0.271D-03-0.201D-03-0.456D-03 0.609D-03 0.395D-02
 Coeff-Com:  0.373D-01 0.901D-01 0.337D+00 0.532D+00
 Coeff:      0.856D-05-0.271D-03-0.201D-03-0.456D-03 0.609D-03 0.395D-02
 Coeff:      0.373D-01 0.901D-01 0.337D+00 0.532D+00
 Gap=     0.161 Goal=   None    Shift=    0.000
 RMSDP=8.68D-08 MaxDP=4.16D-06 DE=-2.34D-10 OVMax= 2.86D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.20D-08    CP:  1.27D+00  1.04D+00  7.25D-01  8.65D-01  8.37D-01
                    CP:  7.13D-01  7.88D-01  7.08D-01  7.57D-01  7.13D-01
 E= -767.168205967035     Delta-E=        0.000000000008 Rises=F Damp=F
 DIIS: error= 3.24D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -767.168205967043     IErMin=11 ErrMin= 3.24D-08
 ErrMax= 3.24D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.43D-12 BMatP= 4.85D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.286D-05-0.618D-04-0.459D-04-0.267D-03-0.665D-03-0.482D-03
 Coeff-Com:  0.756D-02 0.223D-01 0.122D+00 0.258D+00 0.592D+00
 Coeff:      0.286D-05-0.618D-04-0.459D-04-0.267D-03-0.665D-03-0.482D-03
 Coeff:      0.756D-02 0.223D-01 0.122D+00 0.258D+00 0.592D+00
 Gap=     0.161 Goal=   None    Shift=    0.000
 RMSDP=1.92D-08 MaxDP=5.29D-07 DE= 8.19D-12 OVMax= 7.10D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.35D-08    CP:  1.27D+00  1.04D+00  7.25D-01  8.65D-01  8.37D-01
                    CP:  7.13D-01  7.88D-01  7.15D-01  7.53D-01  7.16D-01
                    CP:  8.35D-01
 E= -767.168205967042     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 1.42D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -767.168205967043     IErMin=12 ErrMin= 1.42D-08
 ErrMax= 1.42D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.67D-13 BMatP= 2.43D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.582D-06-0.191D-05-0.116D-05-0.945D-04-0.421D-03-0.778D-03
 Coeff-Com: -0.358D-03 0.708D-03 0.252D-01 0.737D-01 0.322D+00 0.580D+00
 Coeff:      0.582D-06-0.191D-05-0.116D-05-0.945D-04-0.421D-03-0.778D-03
 Coeff:     -0.358D-03 0.708D-03 0.252D-01 0.737D-01 0.322D+00 0.580D+00
 Gap=     0.161 Goal=   None    Shift=    0.000
 RMSDP=8.11D-09 MaxDP=3.16D-07 DE=-7.73D-12 OVMax= 2.80D-07

 SCF Done:  E(RB3LYP) =  -767.168205967     A.U. after   12 cycles
            NFock= 12  Conv=0.81D-08     -V/T= 2.0106
 KE= 7.590921658852D+02 PE=-4.048712861691D+03 EE= 1.389807638099D+03
 Leave Link  502 at Thu Sep 23 13:11:15 2021, MaxMem=  5368709120 cpu:            3701.2 elap:             462.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   461
 NBasis=   461 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    461 NOA=    61 NOB=    61 NVA=   400 NVB=   400

 **** Warning!!: The largest alpha MO coefficient is  0.53781885D+02

 Leave Link  801 at Thu Sep 23 13:11:16 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9491 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.07D-13 8.33D-09 XBig12= 1.00D+00 6.72D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.07D-13 8.33D-09 XBig12= 4.71D-01 1.58D-01.
     11 vectors produced by pass  2 Test12= 4.07D-13 8.33D-09 XBig12= 9.92D-02 1.20D-01.
     11 vectors produced by pass  3 Test12= 4.07D-13 8.33D-09 XBig12= 2.58D-02 4.64D-02.
     11 vectors produced by pass  4 Test12= 4.07D-13 8.33D-09 XBig12= 1.16D-02 3.41D-02.
     11 vectors produced by pass  5 Test12= 4.07D-13 8.33D-09 XBig12= 7.94D-04 3.73D-03.
     11 vectors produced by pass  6 Test12= 4.07D-13 8.33D-09 XBig12= 3.58D-05 6.63D-04.
     11 vectors produced by pass  7 Test12= 4.07D-13 8.33D-09 XBig12= 9.86D-07 1.37D-04.
     11 vectors produced by pass  8 Test12= 4.07D-13 8.33D-09 XBig12= 2.49D-08 2.86D-05.
     11 vectors produced by pass  9 Test12= 4.07D-13 8.33D-09 XBig12= 5.73D-10 3.38D-06.
      9 vectors produced by pass 10 Test12= 4.07D-13 8.33D-09 XBig12= 1.43D-11 6.57D-07.
      6 vectors produced by pass 11 Test12= 4.07D-13 8.33D-09 XBig12= 2.53D-13 8.02D-08.
      1 vectors produced by pass 12 Test12= 4.07D-13 8.33D-09 XBig12= 4.47D-14 9.70D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 9.95D-14
 Solved reduced A of dimension   126 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.306812D+03
      2 -0.206540D+02  0.183200D+03
      3 -0.824719D+01 -0.500133D+01  0.120807D+03
 Isotropic polarizability for W=    0.088559      203.61 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.447402D+03 -0.117129D+03 -0.921532D+02
      2  -0.190465D+03  0.971307D+02  0.100233D+02
      3  -0.256936D+03  0.199979D+02  0.821298D+02
      4  -0.718257D+02  0.876018D+02 -0.730429D+01
      5  -0.154599D+02 -0.104458D+01 -0.929316D+02
      6  -0.540471D+01  0.183580D+02 -0.242399D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.128868D+02  0.203046D+02  0.348786D+01
      2  -0.872154D+02 -0.290434D+01 -0.294571D+02
      3   0.115042D+03 -0.416130D+02 -0.413585D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.625971D+01  0.833470D+01  0.442378D+02
      2  -0.766933D+02 -0.189958D+01  0.164005D+03
      3   0.453029D+02 -0.278067D+03 -0.436013D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.195516D+01  0.818285D+01 -0.184399D+02
      2   0.818285D+01  0.390060D+01  0.350976D+01
      3  -0.184399D+02  0.350976D+01  0.390122D+01
 OR G Eigenvalues:   -20.6619     6.3765    20.1321  Iso=    -1.9489
 Eigenvectors:
   (1)   0.731999  -0.329103   0.596548
   (2)   0.129008   0.926708   0.352945
   (3)  -0.668980  -0.181396   0.720806
 w=    0.088559 a.u., Optical Rotation Beta=     -1.9489 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =     -429.18 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  106491 ScalPx= 6.33D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.01D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.78D-14 2.78D-09 XBig12= 1.00D+00 4.31D-01.
     30 vectors produced by pass  1 Test12= 6.78D-14 2.78D-09 XBig12= 6.47D-02 8.77D-02.
     30 vectors produced by pass  2 Test12= 6.78D-14 2.78D-09 XBig12= 4.36D-03 1.44D-02.
     30 vectors produced by pass  3 Test12= 6.78D-14 2.78D-09 XBig12= 1.47D-04 1.43D-03.
     30 vectors produced by pass  4 Test12= 6.78D-14 2.78D-09 XBig12= 3.08D-06 1.86D-04.
     30 vectors produced by pass  5 Test12= 6.78D-14 2.78D-09 XBig12= 5.30D-08 1.94D-05.
     30 vectors produced by pass  6 Test12= 6.78D-14 2.78D-09 XBig12= 4.84D-10 2.40D-06.
     30 vectors produced by pass  7 Test12= 6.78D-14 2.78D-09 XBig12= 2.15D-12 1.14D-07.
      4 vectors produced by pass  8 Test12= 6.78D-14 2.78D-09 XBig12= 8.50D-15 9.51D-09.
      3 vectors produced by pass  9 Test12= 6.78D-14 2.78D-09 XBig12= 1.40D-14 8.67D-09.
      3 vectors produced by pass 10 Test12= 6.78D-14 2.78D-09 XBig12= 7.00D-14 2.83D-08.
      1 vectors produced by pass 11 Test12= 6.78D-14 2.78D-09 XBig12= 1.76D-14 8.81D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   251 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.38D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.38D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.31D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.306812D+03 -0.206540D+02 -0.824719D+01
      2  -0.206540D+02  0.183200D+03 -0.500133D+01
      3  -0.824719D+01 -0.500133D+01  0.120807D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.128868D+02  0.203046D+02  0.348786D+01
      2  -0.872154D+02 -0.290434D+01 -0.294571D+02
      3   0.115042D+03 -0.416130D+02 -0.413585D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.447402D+03 -0.117129D+03 -0.921532D+02
      2  -0.190465D+03  0.971307D+02  0.100233D+02
      3  -0.256936D+03  0.199979D+02  0.821298D+02
      4  -0.718257D+02  0.876018D+02 -0.730429D+01
      5  -0.154599D+02 -0.104458D+01 -0.929316D+02
      6  -0.540471D+01  0.183580D+02 -0.242399D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.408107D+02 -0.790811D+01 -0.109565D+01 -0.412094D+01  0.386800D+01
      2  -0.790811D+01  0.988308D+01 -0.201167D+00  0.386800D+01 -0.139326D+02
      3  -0.109565D+01 -0.201167D+00  0.276671D+01  0.275800D+00  0.150993D+01
                 6             7             8             9            10 
      1   0.275800D+00 -0.221590D+01  0.997699D+00  0.740069D+01  0.266918D+01
      2   0.150993D+01  0.997699D+00  0.173718D+00 -0.138522D+01  0.145414D+01
      3  -0.150045D+00  0.740069D+01 -0.138522D+01 -0.124872D+01 -0.905207D-01
                11            12            13            14            15 
      1   0.145414D+01 -0.905207D-01 -0.177616D+02  0.343390D+01  0.129923D+01
      2   0.104152D+02 -0.164812D+01  0.343390D+01  0.363237D+01 -0.139042D+01
      3  -0.164812D+01  0.194478D+01  0.129923D+01 -0.139042D+01 -0.135965D+01
                16            17            18            19            20 
      1   0.221953D+01 -0.396128D+00  0.399536D+01 -0.416055D+02  0.132379D+02
      2  -0.396128D+00 -0.204847D+01 -0.282352D+01  0.132379D+02 -0.922219D+01
      3   0.399536D+01 -0.282352D+01 -0.241800D+00  0.119281D+01  0.604898D+00
                21            22            23            24            25 
      1   0.119281D+01  0.220557D+02 -0.615738D+01 -0.623219D+00  0.196411D+01
      2   0.604898D+00 -0.615738D+01  0.753173D+01  0.307335D+00 -0.188415D+00
      3  -0.415506D+00 -0.623219D+00  0.307335D+00  0.196395D+01  0.495782D+00
                26            27            28            29            30 
      1  -0.188415D+00  0.495782D+00  0.426031D+02 -0.120305D+02 -0.105271D+01
      2   0.111396D+01  0.457465D+01 -0.120305D+02  0.351980D+01  0.435410D+00
      3   0.457465D+01 -0.124795D+01 -0.105271D+01  0.435410D+00  0.179733D+00
                31            32            33            34            35 
      1   0.430841D+02 -0.720905D+01 -0.295213D+01 -0.852144D+01  0.220836D+01
      2  -0.720905D+01  0.806865D+01  0.256989D+00  0.220836D+01 -0.107392D+01
      3  -0.295213D+01  0.256989D+00  0.800816D-01  0.130371D+01  0.779990D+00
                36            37            38            39            40 
      1   0.130371D+01 -0.464549D+02  0.120427D+02  0.116927D+01 -0.393737D+02
      2   0.779990D+00  0.120427D+02 -0.753657D+01 -0.537832D+00  0.648762D+01
      3  -0.203223D+00  0.116927D+01 -0.537832D+00  0.133559D+00  0.270690D+01
                41            42            43            44            45 
      1   0.648762D+01  0.270690D+01  0.876337D+01 -0.189756D+01 -0.128208D+01
      2  -0.583915D+01 -0.744346D-01 -0.189756D+01  0.125313D+01 -0.692901D+00
      3  -0.744346D-01 -0.154333D+00 -0.128208D+01 -0.692901D+00  0.255446D+00
                46            47            48            49            50 
      1  -0.478128D+00 -0.326716D+01  0.898381D+00 -0.389060D+01  0.452114D+01
      2  -0.326716D+01 -0.523029D+01  0.435250D+00  0.452114D+01 -0.263927D+01
      3   0.898381D+00  0.435250D+00 -0.167891D+01 -0.765950D+00 -0.773313D+00
                51            52            53            54            55 
      1  -0.765950D+00  0.786708D+00 -0.540900D+00 -0.406158D+00  0.428402D+01
      2  -0.773313D+00 -0.540900D+00 -0.766934D-01 -0.423679D+01  0.220939D+01
      3  -0.110190D+01 -0.406158D+00 -0.423679D+01  0.139766D+01 -0.158174D+01
                56            57            58            59            60 
      1   0.220939D+01 -0.158174D+01  0.224992D+01 -0.432718D+01  0.762070D+00
      2   0.101087D+02 -0.842342D-01 -0.432718D+01  0.525291D+00  0.832124D+00
      3  -0.842342D-01  0.138716D+01  0.762070D+00  0.832124D+00  0.111007D+01
                61            62            63            64            65 
      1  -0.665697D+00  0.811465D+00  0.107893D+01 -0.717114D-01 -0.216556D+01
      2   0.811465D+00  0.677230D-01  0.469801D+01 -0.216556D+01 -0.145273D+02
      3   0.107893D+01  0.469801D+01 -0.138579D+01  0.192708D+00  0.136190D+01
                66            67            68            69            70 
      1   0.192708D+00  0.160976D+02 -0.982801D+00 -0.723271D+00 -0.617664D+01
      2   0.136190D+01 -0.982801D+00 -0.719627D+01  0.128081D+01  0.819747D-01
      3  -0.206598D+01 -0.723271D+00  0.128081D+01  0.141861D+01 -0.595043D+01
                71            72            73            74            75 
      1   0.819747D-01 -0.595043D+01 -0.617331D+02  0.618086D+01  0.172576D+01
      2   0.302034D+01  0.267862D+01  0.618086D+01 -0.541300D+01  0.355889D+00
      3   0.267862D+01  0.654243D+00  0.172576D+01  0.355889D+00 -0.147113D+01
                76            77            78            79            80 
      1   0.839183D+01 -0.386981D+01 -0.997760D+00  0.178610D+01 -0.111207D+01
      2  -0.386981D+01  0.176774D+02 -0.132240D+01 -0.111207D+01 -0.835768D+00
      3  -0.997760D+00 -0.132240D+01 -0.342685D+00 -0.668703D+01  0.739834D+00
                81            82            83            84            85 
      1  -0.668703D+01  0.514825D+02 -0.125018D+02 -0.134967D+01 -0.276735D+02
      2   0.739834D+00 -0.125018D+02  0.115611D+02 -0.534548D+00  0.350163D+01
      3   0.112984D+01 -0.134967D+01 -0.534548D+00  0.402962D+00  0.461002D+00
                86            87            88            89            90 
      1   0.350163D+01  0.461002D+00 -0.468706D+01  0.151525D+00 -0.596350D+00
      2  -0.766808D+01  0.851912D-01  0.151525D+00 -0.905033D+00 -0.344944D+01
      3   0.851912D-01 -0.186903D+01 -0.596350D+00 -0.344944D+01  0.148018D+01
                91            92            93            94            95 
      1   0.127576D+02 -0.168546D+01 -0.114412D+01  0.702446D+01  0.234832D+01
      2  -0.168546D+01  0.231949D+01  0.921592D-01  0.234832D+01 -0.288611D+01
      3  -0.114412D+01  0.921592D-01  0.201105D+01 -0.737762D+00 -0.417421D+00
                96            97            98            99           100 
      1  -0.737762D+00  0.770467D+01  0.661535D+00  0.825328D+01 -0.111865D+02
      2  -0.417421D+00  0.661535D+00  0.206010D+00  0.257724D+01  0.448828D+01
      3   0.350588D+01  0.825328D+01  0.257724D+01 -0.465995D+00  0.251815D-01
               101           102           103           104           105 
      1   0.448828D+01  0.251815D-01 -0.210774D+01  0.364091D+01 -0.290342D+00
      2  -0.449516D+01  0.580651D-01  0.364091D+01  0.927086D+00 -0.463720D+00
      3   0.580651D-01  0.224792D+00 -0.290342D+00 -0.463720D+00 -0.100067D+01
               106           107           108           109           110 
      1   0.138864D+01 -0.712506D+00  0.965413D-01  0.181693D+01 -0.483833D+01
      2  -0.712506D+00  0.509754D+00  0.801689D+00 -0.483833D+01  0.213164D+01
      3   0.965413D-01  0.801689D+00 -0.871464D-01  0.270096D+00  0.787395D+00
               111           112           113           114           115 
      1   0.270096D+00 -0.389819D+01 -0.253082D+01  0.888828D+00 -0.294461D+00
      2   0.787395D+00 -0.253082D+01  0.196562D+01  0.108190D+01  0.999807D+00
      3  -0.897140D-01  0.888828D+00  0.108190D+01  0.607960D+01 -0.275794D+01
               116           117           118           119           120 
      1   0.999807D+00 -0.275794D+01  0.611529D+01 -0.332586D+01 -0.260715D+00
      2   0.568061D+00  0.478183D+01 -0.332586D+01  0.290799D+01  0.432873D-02
      3   0.478183D+01 -0.113529D+01 -0.260715D+00  0.432873D-02  0.255976D+00
               121           122           123           124           125 
      1  -0.480685D+01  0.477227D+01 -0.150005D+00 -0.296496D+00 -0.224250D+00
      2   0.477227D+01 -0.575926D+01  0.910198D-01 -0.224250D+00  0.266606D+00
      3  -0.150005D+00  0.910198D-01 -0.550817D+00 -0.429915D+00 -0.939235D-01
               126           127           128           129           130 
      1  -0.429915D+00  0.182276D+01  0.286393D+01 -0.394865D+00  0.352076D+01
      2  -0.939235D-01  0.286393D+01  0.230245D+01 -0.444968D+00  0.387732D+01
      3   0.139822D+00 -0.394865D+00 -0.444968D+00  0.421492D+00 -0.593379D+00
               131           132           133           134           135 
      1   0.387732D+01 -0.593379D+00 -0.522698D+00 -0.639989D+00  0.349982D+00
      2   0.789034D+01 -0.102366D+01 -0.639989D+00 -0.101430D+01  0.250623D+00
      3  -0.102366D+01  0.100957D+01  0.349982D+00  0.250623D+00 -0.190874D+00
               136           137           138           139           140 
      1  -0.549923D+00 -0.165940D+01  0.224816D+00 -0.327083D+00 -0.112989D+01
      2  -0.165940D+01 -0.237955D+01  0.396691D+00 -0.112989D+01 -0.958447D+01
      3   0.224816D+00  0.396691D+00 -0.253890D+00  0.109061D+00  0.107016D+01
               141           142           143           144           145 
      1   0.109061D+00  0.126712D+00  0.305935D+00  0.433248D-01  0.980781D+00
      2   0.107016D+01  0.305935D+00  0.121493D+01 -0.255164D+00  0.181476D+01
      3  -0.922626D+00  0.433248D-01 -0.255164D+00  0.136154D+00 -0.248607D+00
               146           147           148           149           150 
      1   0.181476D+01 -0.248607D+00  0.848750D+00  0.174116D+01 -0.143966D+00
      2   0.276859D+01 -0.418752D+00  0.174116D+01  0.110005D+02 -0.110487D+01
      3  -0.418752D+00  0.249011D+00 -0.143966D+00 -0.110487D+01  0.958405D+00
               151           152           153           154           155 
      1   0.609459D+00 -0.449381D+00  0.190740D+00 -0.570671D+01  0.361785D+01
      2  -0.449381D+00 -0.140283D+01  0.247600D+00  0.361785D+01 -0.370297D+01
      3   0.190740D+00  0.247600D+00 -0.121392D+00  0.276418D+00 -0.490648D-01
               156           157           158           159           160 
      1   0.276418D+00  0.379014D+01 -0.485715D+01  0.152674D+00  0.748344D-01
      2  -0.490648D-01 -0.485715D+01  0.654998D+01  0.143015D-01  0.309876D+00
      3  -0.410524D+00  0.152674D+00  0.143015D-01  0.692189D+00  0.348012D+00
               161           162           163           164           165 
      1   0.309876D+00  0.348012D+00 -0.183894D+01 -0.211302D+01  0.350870D+00
      2  -0.300075D+00  0.300290D+00 -0.211302D+01 -0.921176D+00  0.270911D+00
      3   0.300290D+00 -0.174275D+00  0.350870D+00  0.270911D+00 -0.377481D+00
               166           167           168           169           170 
      1  -0.281558D+01 -0.293125D+01  0.494769D+00 -0.230847D+00  0.330999D+00
      2  -0.293125D+01 -0.568106D+01  0.802037D+00  0.330999D+00  0.429392D+00
      3   0.494769D+00  0.802037D+00 -0.919834D+00 -0.396284D+00 -0.212579D+00
               171           172           173           174           175 
      1  -0.396284D+00 -0.171550D+01  0.236777D+01  0.207865D+00  0.461029D+01
      2  -0.212579D+00  0.236777D+01 -0.172954D+01 -0.263455D+00 -0.250308D+01
      3  -0.708834D-02  0.207865D+00 -0.263455D+00 -0.903640D+00 -0.614198D+00
               176           177           178           179           180 
      1  -0.250308D+01 -0.614198D+00 -0.867287D-01 -0.275182D+00 -0.127145D+01
      2   0.508143D+01  0.404859D+00 -0.275182D+00  0.277672D+00  0.564542D+00
      3   0.404859D+00  0.101055D+01 -0.127145D+01  0.564542D+00  0.382071D+00
               181           182           183           184           185 
      1   0.110218D+02  0.161238D+01 -0.192255D+01 -0.226531D+01 -0.185380D+01
      2   0.161238D+01 -0.143593D+01 -0.535808D+00 -0.185380D+01  0.244720D+01
      3  -0.192255D+01 -0.535808D+00 -0.294123D+01  0.117145D+01 -0.356103D+00
               186           187           188           189           190 
      1   0.117145D+01  0.401598D+01  0.532223D+00 -0.458462D+01  0.851545D+01
      2  -0.356103D+00  0.532223D+00  0.112527D+00 -0.325740D+01 -0.741874D+00
      3  -0.516139D+01 -0.458462D+01 -0.325740D+01 -0.871795D+00  0.360975D+01
               191           192           193           194           195 
      1  -0.741874D+00  0.360975D+01 -0.430500D+01 -0.926504D+00 -0.290191D+01
      2  -0.303353D+00 -0.102510D+01 -0.926504D+00  0.469189D-02  0.105744D-01
      3  -0.102510D+01  0.168855D+01 -0.290191D+01  0.105744D-01 -0.532672D+01
               196           197           198           199           200 
      1   0.973763D+01 -0.169127D+01  0.727842D+00  0.147057D+02  0.197154D+01
      2  -0.169127D+01  0.227305D+00 -0.287380D+01  0.197154D+01  0.943800D+00
      3   0.727842D+00 -0.287380D+01  0.871969D+00 -0.135656D+01 -0.201382D+00
               201           202           203           204           205 
      1  -0.135656D+01  0.576288D+01  0.170237D+01 -0.527029D+00 -0.174101D+01
      2  -0.201382D+00  0.170237D+01  0.136014D+01 -0.298608D+00 -0.229466D+00
      3   0.118751D+01 -0.527029D+00 -0.298608D+00  0.299370D+00  0.181139D+01
               206           207           208           209           210 
      1  -0.229466D+00  0.181139D+01 -0.109266D+01  0.160245D+00 -0.760058D+00
      2  -0.270550D+00 -0.178523D+00  0.160245D+00 -0.681172D+00 -0.130792D+00
      3  -0.178523D+00 -0.415292D+00 -0.760058D+00 -0.130792D+00 -0.577036D+00
               211           212           213           214           215 
      1  -0.199533D+01  0.237081D+01  0.153284D+01 -0.381402D+01  0.180177D+01
      2   0.237081D+01 -0.383200D+01 -0.276142D+01  0.180177D+01 -0.273301D+01
      3   0.153284D+01 -0.276142D+01 -0.313499D+01  0.278790D+01 -0.328077D+01
               216           217           218           219           220 
      1   0.278790D+01  0.294623D+00 -0.847120D-01  0.135998D+01 -0.170173D+01
      2  -0.328077D+01 -0.847120D-01 -0.244722D+00 -0.444167D+00  0.212899D+01
      3  -0.451605D+01  0.135998D+01 -0.444167D+00  0.798124D-01 -0.152884D+01
               221           222           223           224           225 
      1   0.212899D+01 -0.152884D+01  0.552780D+01 -0.229036D+01  0.340716D+01
      2  -0.245783D+01  0.181632D+01 -0.229036D+01  0.221957D+01 -0.286538D+01
      3   0.181632D+01 -0.251924D+01  0.340716D+01 -0.286538D+01  0.529964D+01
               226           227           228           229           230 
      1   0.471177D-01  0.426457D+00  0.105328D+01  0.162408D+01  0.334424D+00
      2   0.426457D+00  0.567194D+00  0.415980D+00  0.334424D+00  0.106877D+01
      3   0.105328D+01  0.415980D+00  0.249729D+01 -0.394994D+00  0.159562D+01
               231           232           233           234           235 
      1  -0.394994D+00  0.132897D+01  0.173052D+00  0.192601D+00  0.297445D-01
      2   0.159562D+01  0.173052D+00  0.124920D+01  0.175587D+01 -0.671291D+00
      3   0.371996D+01  0.192601D+00  0.175587D+01  0.791870D+01 -0.111428D+00
               236           237           238           239           240 
      1  -0.671291D+00 -0.111428D+00 -0.224095D+01 -0.335075D-01  0.427183D+00
      2   0.112040D+01 -0.308625D+00 -0.335075D-01 -0.514886D+01  0.113879D+01
      3  -0.308625D+00  0.108099D+01  0.427183D+00  0.113879D+01 -0.137973D+01
               241           242           243           244           245 
      1  -0.699084D+00 -0.233842D+00  0.529890D+00 -0.164924D+02 -0.199078D+01
      2  -0.233842D+00  0.361907D+00 -0.417352D+00 -0.199078D+01 -0.100246D+01
      3   0.529890D+00 -0.417352D+00  0.237623D+00  0.424195D+01  0.609484D+00
               246           247           248           249           250 
      1   0.424195D+01 -0.184783D+01 -0.142023D+01  0.242550D+00  0.993288D+00
      2   0.609484D+00 -0.142023D+01 -0.571693D+00  0.492754D+00  0.147245D+00
      3  -0.244612D+01  0.242550D+00  0.492754D+00  0.274559D+00 -0.157126D+01
               251           252           253           254           255 
      1   0.147245D+00 -0.157126D+01 -0.123008D+02  0.268733D+01 -0.490457D+01
      2  -0.406182D-01  0.626558D-01  0.268733D+01 -0.136599D+01  0.863199D+00
      3   0.626558D-01  0.101477D+01 -0.490457D+01  0.863199D+00 -0.307284D+01
               256           257           258           259           260 
      1   0.115096D+02 -0.188487D+01  0.330674D+01 -0.160522D+02  0.119396D+01
      2  -0.188487D+01  0.388520D+01 -0.226093D+01  0.119396D+01 -0.202588D+01
      3   0.330674D+01 -0.226093D+01  0.399708D+01 -0.673984D+01  0.274681D+01
               261           262           263           264           265 
      1  -0.673984D+01  0.253765D+01 -0.439113D+00  0.101752D+01 -0.861261D+01
      2   0.274681D+01 -0.439113D+00  0.116660D+01  0.132810D+01 -0.605638D+00
      3  -0.775099D+01  0.101752D+01  0.132810D+01  0.179313D+01  0.117136D+01
               266           267           268           269           270 
      1  -0.605638D+00  0.117136D+01  0.165344D+01  0.263078D+01  0.294881D+01
      2  -0.338615D+01  0.114027D+01  0.263078D+01  0.306929D+01  0.208110D+01
      3   0.114027D+01  0.168761D+01  0.294881D+01  0.208110D+01  0.480953D+01
               271           272           273           274           275 
      1  -0.126824D+01 -0.171257D+01 -0.154289D+01 -0.825604D+00 -0.150590D+01
      2  -0.171257D+01 -0.152462D+01 -0.119164D+01 -0.150590D+01 -0.303358D+01
      3  -0.154289D+01 -0.119164D+01 -0.160052D+01 -0.105771D+01 -0.168370D+01
               276           277           278           279 
      1  -0.105771D+01 -0.267693D+01 -0.245689D+01 -0.328859D+01
      2  -0.168370D+01 -0.245689D+01 -0.361394D+01 -0.361857D+01
      3  -0.191382D+01 -0.328859D+01 -0.361857D+01 -0.566395D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.490441D+00  0.536721D+01 -0.212099D+01  0.521589D+01 -0.153104D+01
      2  -0.138624D+02  0.476413D+01 -0.189351D+01  0.808480D+01 -0.465981D+01
      3   0.101195D+02  0.180097D+02 -0.135355D+01  0.467598D+02 -0.550132D+01
                 6             7             8             9            10 
      1   0.267777D+01 -0.865443D+00  0.156333D+02 -0.154698D+01 -0.608538D+00
      2  -0.484165D+00  0.271790D+01  0.285468D+01 -0.204058D+01 -0.142112D+01
      3  -0.295046D+01 -0.519834D+01 -0.273804D+01  0.512130D+01 -0.258362D+02
                11            12            13            14            15 
      1   0.393161D+01  0.398781D+01 -0.731867D+00 -0.134313D+00 -0.196001D+01
      2   0.165296D+01  0.647390D+01  0.237750D+01 -0.212074D+01 -0.286593D+01
      3   0.589105D+01 -0.120617D+00 -0.263302D+02 -0.109531D+02  0.326222D+01
                16            17            18            19            20 
      1   0.126093D+02  0.557254D+01 -0.282347D+01 -0.244774D+01 -0.441268D+01
      2  -0.548863D+01 -0.124141D+02  0.254471D+00  0.125297D+02 -0.670122D+01
      3   0.460538D+01  0.103173D+01 -0.615585D+00 -0.366930D+02 -0.290027D+02
                21            22            23            24            25 
      1   0.104735D+01 -0.124905D+01  0.278854D+01 -0.281196D+01 -0.808288D+01
      2   0.332941D+01 -0.880025D+01  0.621323D+01  0.286030D+01 -0.175189D+02
      3   0.442528D+01  0.838356D+01  0.110946D+02 -0.264581D+01  0.442953D+01
                26            27            28            29            30 
      1   0.296273D+01  0.884398D+00  0.105797D+01  0.497030D+01 -0.884974D+00
      2   0.194674D+02 -0.204262D+01 -0.184311D+02  0.922291D+01 -0.360616D+01
      3  -0.141548D+01 -0.959314D+01  0.320751D+02  0.382280D+02 -0.586618D+01
                31            32            33            34            35 
      1   0.531721D+01 -0.111052D+00  0.321066D+00 -0.551810D+01  0.670173D+01
      2  -0.611422D+01 -0.234339D+01  0.107052D+01 -0.200032D+02  0.162903D+01
      3   0.765637D+02 -0.316610D+02 -0.277241D+01 -0.842361D+01 -0.164741D+01
                36            37            38            39            40 
      1   0.122721D+00 -0.158661D+01  0.353872D+01 -0.498943D+00  0.340907D+01
      2   0.158232D+01  0.160060D+02  0.254938D+01  0.118510D+00  0.114355D+02
      3   0.551708D+00 -0.286696D+02  0.482716D+02 -0.507369D+01  0.248572D+02
                41            42            43            44            45 
      1  -0.381238D+01 -0.325775D+00 -0.421194D+01  0.805830D+01 -0.655485D+00
      2  -0.491583D+01 -0.227281D+00 -0.236202D+02  0.266167D+01  0.127755D+01
      3  -0.306600D+02  0.144679D+01  0.343537D+01 -0.258905D+01  0.995647D+00
                46            47            48            49            50 
      1   0.274665D+01 -0.549133D+01 -0.328746D+01 -0.128104D+01  0.242808D+01
      2  -0.196042D+01 -0.488719D+01 -0.411378D+01 -0.471993D+00  0.207637D+01
      3   0.441940D+02 -0.370087D+02  0.327954D+01 -0.114886D+02  0.357665D+02
                51            52            53            54            55 
      1  -0.193132D+01 -0.745779D+01 -0.357550D+01  0.190132D+01  0.177223D+01
      2  -0.195473D+01 -0.240471D+02 -0.353077D+01  0.410131D+01  0.698073D+01
      3  -0.205419D+01  0.165630D+01  0.211354D+01  0.114005D+02  0.356814D+02
                56            57            58            59            60 
      1  -0.143627D+01 -0.385919D+01 -0.340162D+01  0.196656D+01 -0.279653D+01
      2  -0.610469D+01  0.113170D+01 -0.491814D+01  0.471534D+01 -0.402660D+00
      3  -0.344199D+02  0.167214D+01 -0.975658D+01  0.274814D+02 -0.148799D+01
                61            62            63            64            65 
      1  -0.886132D+01 -0.592022D+01  0.389731D+01  0.629277D-01 -0.222218D+01
      2  -0.185890D+02 -0.903060D-01  0.159775D+01 -0.631516D+01  0.124625D+01
      3  -0.218223D+00  0.165820D+01  0.501959D+01 -0.180998D+02  0.611892D+01
                66            67            68            69            70 
      1   0.489057D+01  0.389579D+01 -0.198308D+01 -0.839327D+00  0.154771D+02
      2   0.263230D+01 -0.101616D+02 -0.122782D+01 -0.247839D+01 -0.175350D+01
      3  -0.191466D+01  0.107141D+02 -0.939739D+00 -0.183628D+01 -0.499805D+01
                71            72            73            74            75 
      1   0.610096D+01 -0.277311D+01 -0.855957D+01  0.216591D+01 -0.650374D+00
      2  -0.957285D+01  0.277361D+01  0.235147D+02 -0.162030D+01 -0.355703D+00
      3  -0.613032D+00 -0.751537D+01 -0.577825D+02  0.162874D+02 -0.690993D-01
                76            77            78            79            80 
      1   0.153407D+01  0.529979D+01 -0.323787D+00  0.279007D+01  0.151640D+02
      2   0.449438D+00  0.720591D+00  0.218342D+01 -0.107587D+02  0.268146D+01
      3   0.425758D+02 -0.125478D+02  0.154385D+01 -0.924635D+00 -0.215754D+01
                81            82            83            84            85 
      1  -0.296653D+01  0.231434D+01 -0.128647D+01  0.121459D+01 -0.210151D+01
      2   0.165477D+01 -0.243890D+02  0.629221D+00 -0.281083D+00  0.120340D+02
      3  -0.480201D+01  0.311718D+02 -0.454328D+02  0.526378D+01 -0.181072D+02
                86            87            88            89            90 
      1  -0.942634D+00 -0.802526D+00 -0.528950D+01  0.387225D+01 -0.424508D+00
      2   0.373394D+00  0.215786D+01 -0.196653D+02  0.103849D+02 -0.449642D+00
      3   0.626049D+01 -0.107349D+01 -0.126490D+01  0.247930D+01 -0.208353D+01
                91            92            93            94            95 
      1   0.470948D+01  0.209152D+01  0.886309D+00  0.586427D+01 -0.189204D+01
      2  -0.785731D+01  0.476707D+00 -0.140604D+01 -0.636042D+01 -0.948003D+00
      3   0.178831D+02  0.121736D+01  0.112139D+01  0.343335D+02 -0.169583D+02
                96            97            98            99           100 
      1  -0.535655D+01  0.433491D+01  0.197471D+01  0.176467D+01  0.118530D+01
      2  -0.103436D+02 -0.444210D+02 -0.920505D+01 -0.371688D+01  0.605264D+01
      3  -0.178393D+01  0.124949D+02 -0.503385D+00  0.180880D+02 -0.243540D+01
               101           102           103           104           105 
      1  -0.538062D+01  0.273039D+01 -0.310311D-01 -0.120515D+01 -0.505222D+01
      2  -0.382988D+01  0.146694D+02 -0.114322D+01 -0.189767D+01 -0.590894D+01
      3  -0.436459D+02  0.206868D+01 -0.571280D+01 -0.669174D+01  0.167542D+01
               106           107           108           109           110 
      1   0.188583D+01 -0.190543D+01  0.141775D+00  0.122481D+01  0.204512D+01
      2  -0.683167D+01  0.299911D+01 -0.893803D+00  0.334523D+00  0.506547D+01
      3   0.767692D+00  0.464421D+01 -0.396689D+01  0.368901D+02  0.623843D+01
               111           112           113           114           115 
      1  -0.111932D+01  0.141236D+01 -0.996889D+00  0.613029D+01 -0.135697D+02
      2  -0.120461D+01  0.612556D+01  0.486476D+01  0.380120D+02 -0.199106D+02
      3  -0.716664D+01  0.259622D+02 -0.301233D+02 -0.700406D+01 -0.649631D+01
               116           117           118           119           120 
      1   0.924665D+01 -0.235532D+01 -0.132580D+01  0.486133D+00  0.166775D+01
      2   0.306494D+02 -0.753542D+01 -0.214856D+01  0.630238D+00  0.155669D+01
      3  -0.483357D+01 -0.304891D+02 -0.462322D+01 -0.448984D+01  0.710635D+00
               121           122           123           124           125 
      1   0.543179D-01 -0.213629D+00 -0.274767D+01 -0.252271D+01  0.999589D+00
      2   0.210341D+00 -0.282005D+00 -0.288900D+01 -0.242408D+01  0.200611D-01
      3  -0.529772D+01  0.132291D+02 -0.180155D+00  0.157609D+01 -0.836830D+00
               126           127           128           129           130 
      1   0.386861D+00  0.148473D+00  0.205554D+00 -0.143700D+01  0.286706D+00
      2   0.647244D+00 -0.899983D+00 -0.105324D+01  0.174491D+01 -0.113968D+01
      3   0.130918D+01 -0.429186D+01 -0.383631D+01  0.749709D+00 -0.293535D+01
               131           132           133           134           135 
      1  -0.175629D+00 -0.367202D+01  0.599050D-01  0.154652D+01  0.382508D+00
      2  -0.275998D+01  0.368877D+01 -0.138414D+01  0.674481D-01 -0.396020D+00
      3  -0.189754D+02  0.211679D+01  0.104955D+01  0.219002D+01  0.583573D-01
               136           137           138           139           140 
      1   0.307946D+00  0.140012D+00 -0.144978D+01 -0.463875D-01 -0.505790D+00
      2   0.853235D+00  0.969494D+00  0.108495D+00  0.516539D+00  0.185614D+01
      3   0.807515D+01  0.601044D+01 -0.128400D+01  0.577666D+01  0.194733D+02
               141           142           143           144           145 
      1  -0.419107D+01  0.579109D+00  0.279602D+01  0.119334D+00  0.103889D+01
      2  -0.453384D+00  0.635652D-01 -0.606543D-01 -0.145879D+00  0.488970D+00
      3  -0.226572D+01 -0.153987D+01 -0.281394D+01 -0.232192D+00  0.565780D+01
               146           147           148           149           150 
      1   0.109487D+01 -0.174657D+01  0.757960D+00  0.288842D+01 -0.516431D+01
      2   0.356798D-01  0.848307D+00  0.210309D+00 -0.151118D+00  0.122076D+01
      3   0.322357D+01 -0.875641D+00  0.521766D+01  0.414712D+01 -0.627314D+00
               151           152           153           154           155 
      1   0.134095D+01  0.194552D+01  0.315401D+00  0.130839D+00 -0.517769D+00
      2  -0.127734D+01  0.107707D+01 -0.648783D+00 -0.164806D+00 -0.232738D+00
      3  -0.293552D+00 -0.117403D+01 -0.677580D+00 -0.102285D+02  0.145326D+01
               156           157           158           159           160 
      1   0.250080D+01 -0.179520D+01  0.161390D+01 -0.339307D+01 -0.271935D+01
      2   0.179343D+01 -0.729862D+00  0.468709D+00 -0.260352D+01 -0.203628D+01
      3   0.517990D+00  0.336012D+01  0.625127D+00  0.288303D+00  0.141308D+01
               161           162           163           164           165 
      1   0.777461D+00  0.652471D+00 -0.722700D+00  0.553109D-01 -0.143905D+01
      2  -0.912865D-01  0.313165D+00  0.425407D+00  0.485574D+00  0.234082D+00
      3   0.300537D+00  0.119653D+01  0.131616D+01  0.106610D+01 -0.118976D+00
               166           167           168           169           170 
      1  -0.715864D+00 -0.202836D+01 -0.323247D+01 -0.137664D+01  0.204751D+01
      2   0.999903D+00 -0.904815D-01  0.153985D+01 -0.867115D+00 -0.102650D+01
      3   0.452343D+01 -0.453168D+01  0.305393D+00 -0.165415D+01  0.297293D+00
               171           172           173           174           175 
      1   0.107770D+00  0.105228D+01 -0.802993D+00  0.840861D+00 -0.239437D+00
      2   0.740170D+00 -0.144642D+00 -0.434775D+00  0.380478D+01  0.264892D+00
      3   0.565315D+00  0.885164D+01 -0.687946D+01 -0.976621D+00 -0.296458D+01
               176           177           178           179           180 
      1   0.300853D+01 -0.231056D+01  0.103711D+00  0.149211D+01  0.303635D+00
      2   0.473994D+00 -0.368396D+01  0.255259D+01 -0.130660D+01 -0.695291D+00
      3   0.186809D+02  0.430068D+00 -0.179014D+01  0.118114D+01  0.988271D+00
               181           182           183           184           185 
      1   0.287594D+01 -0.570811D+01 -0.205573D+01 -0.331608D+01  0.727833D+01
      2  -0.140971D+02 -0.205442D+01  0.177471D+02 -0.518232D+01  0.571457D+01
      3  -0.129747D+01 -0.126082D+02  0.175589D+01 -0.125869D+02  0.151182D+02
               186           187           188           189           190 
      1  -0.518797D+01  0.113624D+01 -0.276721D+00 -0.947018D+01  0.144073D+00
      2   0.174926D+02  0.147578D+02  0.111225D+02  0.104458D+02  0.106944D+02
      3   0.153043D+01  0.844491D+01 -0.257364D+00 -0.134269D+02 -0.726247D+01
               191           192           193           194           195 
      1  -0.775114D+01 -0.378711D+01 -0.843981D+01  0.199598D+01 -0.339911D+00
      2   0.534471D+01  0.341052D+01  0.240748D+02  0.148346D+01  0.202587D+02
      3  -0.620278D+01 -0.611807D+01 -0.713280D+01  0.378140D-01  0.238972D+01
               196           197           198           199           200 
      1   0.281556D+01 -0.149063D+01  0.574834D+00 -0.159330D+01 -0.855475D+00
      2  -0.107093D+02  0.980712D+01 -0.139238D+02 -0.425881D+01 -0.857623D+00
      3  -0.151030D+01  0.180167D+02 -0.128238D+02 -0.224177D+02 -0.109956D+02
               201           202           203           204           205 
      1   0.345122D+00 -0.818310D+00 -0.691994D+00 -0.707163D+00  0.179205D+01
      2   0.913929D+01 -0.184042D+01 -0.127402D+01  0.220369D+01  0.861447D+01
      3   0.241319D+01 -0.130033D+02 -0.935171D+01  0.213718D+01  0.269029D+01
               206           207           208           209           210 
      1   0.224471D+00 -0.794633D-01  0.653782D+00  0.587563D-02 -0.122550D+01
      2  -0.101892D+01 -0.214910D+01 -0.583751D+01 -0.113169D+01 -0.270627D+01
      3   0.222060D+01  0.417971D+00  0.156729D+01  0.297717D+01  0.169135D+01
               211           212           213           214           215 
      1   0.680944D+00  0.142220D+00 -0.352073D+01  0.266255D+01  0.153866D+00
      2   0.571896D+01 -0.143591D+02 -0.179203D+02  0.112709D+02 -0.187538D+02
      3  -0.114469D+02  0.277363D+02  0.160311D+02 -0.746583D+01  0.184199D+02
               216           217           218           219           220 
      1  -0.443016D+01  0.289381D+00 -0.220636D+00 -0.603530D-01 -0.191045D+01
      2  -0.246335D+02  0.916899D+01 -0.273454D+01  0.123436D+01 -0.794384D+01
      3   0.196313D+02  0.194278D+01 -0.302687D+00  0.184607D+01 -0.108393D+02
               221           222           223           224           225 
      1   0.220328D+01 -0.401133D+01  0.496778D+01 -0.122239D+01  0.715385D+01
      2   0.106643D+02 -0.154172D+02  0.161784D+02 -0.177674D+02  0.314484D+02
      3   0.190655D+02 -0.108629D+02  0.975727D+01 -0.157914D+02  0.174429D+02
               226           227           228           229           230 
      1   0.133609D+01  0.264450D+01  0.117371D+01  0.175745D+01  0.371986D+01
      2  -0.591152D+01 -0.229330D+01 -0.992625D+01 -0.227906D+01 -0.642832D+01
      3   0.165538D+01  0.206407D+01  0.371099D-01  0.316078D+01  0.330182D+01
               231           232           233           234           235 
      1   0.312122D+01  0.650036D+00  0.589083D+01  0.686230D+01 -0.286561D+01
      2  -0.126668D+02 -0.549652D+01 -0.733415D+01 -0.288014D+02 -0.141485D+01
      3   0.423211D+01  0.200950D-01  0.374916D+01  0.425596D+01 -0.697440D+01
               236           237           238           239           240 
      1   0.295795D+01  0.113271D+01  0.127140D+01 -0.115739D+02 -0.142105D+01
      2   0.264612D+01 -0.285907D+01  0.250667D+01 -0.586745D+01  0.394787D+01
      3   0.578919D+01 -0.727417D+00  0.452156D+01 -0.213319D+02  0.373662D+01
               241           242           243           244           245 
      1   0.434232D+00  0.878556D+00 -0.151184D+01 -0.198952D+01 -0.276030D+01
      2  -0.159113D+01  0.140364D+01 -0.178487D+01  0.120203D+02  0.404764D+00
      3   0.687633D+00  0.702609D+00 -0.243778D+01 -0.267864D+01 -0.706729D+01
               246           247           248           249           250 
      1  -0.263401D+00 -0.240849D+01 -0.165981D+01  0.118268D-01 -0.599772D+00
      2   0.607687D+01  0.169316D+01 -0.568059D-01 -0.116275D+01  0.270059D+01
      3   0.181678D+01 -0.376731D+01 -0.345450D+01  0.148209D+01 -0.150717D+01
               251           252           253           254           255 
      1   0.857447D+00  0.807071D+00 -0.518259D+01  0.559093D+01  0.258823D+01
      2  -0.564000D+00 -0.155383D+01  0.956337D+01 -0.230296D+01  0.120332D+02
      3   0.123600D+01  0.778493D+00  0.586747D+01 -0.101777D+02  0.367275D+01
               256           257           258           259           260 
      1   0.546194D+01 -0.617872D+01 -0.155982D+01 -0.256534D+01  0.968385D+01
      2  -0.203182D+02  0.692598D+01 -0.157468D+02  0.259816D+02 -0.967675D+01
      3   0.300612D+01  0.185358D+02 -0.836855D+01 -0.110497D+02 -0.181922D+02
               261           262           263           264           265 
      1  -0.560591D+00  0.457430D+01  0.114497D+01  0.229762D+01 -0.326977D+01
      2   0.340212D+02 -0.730088D+01 -0.618074D+01 -0.434208D+01 -0.176501D+01
      3   0.824126D+01  0.674748D+00  0.260936D+01  0.432245D+01 -0.212603D+01
               266           267           268           269           270 
      1   0.335987D+01 -0.624693D+01  0.130358D+01  0.149088D+01  0.674298D+01
      2  -0.293167D+01 -0.583869D+01 -0.891251D+01 -0.669827D+01 -0.158809D+02
      3  -0.173006D+02  0.438951D+01  0.815413D+01  0.843175D+01  0.516507D+01
               271           272           273           274           275 
      1  -0.253291D+00  0.409468D+00 -0.141807D+01 -0.104093D+01 -0.556619D+00
      2   0.365976D+01  0.379531D+01  0.501105D+01  0.246588D+01  0.576334D+01
      3  -0.400621D+01 -0.498434D+01 -0.319858D+01 -0.281504D+01 -0.989881D+01
               276           277           278           279 
      1  -0.275986D+01 -0.162897D+01 -0.824461D-01 -0.602458D+01
      2   0.641190D+01  0.906293D+01  0.126127D+02  0.205545D+02
      3  -0.520425D+01 -0.684742D+01 -0.131093D+02 -0.125635D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.122779D+03 -0.384980D+02 -0.473506D+01  0.132274D+02 -0.233120D+02
      2  -0.662402D+02  0.251862D+02  0.729277D+00 -0.138564D+02  0.258738D+02
      3  -0.565384D+02  0.133118D+02  0.400578D+01  0.628960D+00 -0.256183D+01
      4  -0.213162D+02  0.304401D+02 -0.208853D+01 -0.211785D+02 -0.617288D+02
      5  -0.796243D+00 -0.136022D+01 -0.118252D+01  0.788680D+01  0.442263D+01
      6  -0.753847D+00  0.996300D+00  0.313754D+01  0.558243D+01 -0.344994D+01
                 6             7             8             9            10 
      1   0.351883D+01 -0.222472D+01  0.748188D+01  0.275517D+02 -0.310313D+01
      2  -0.432224D+01  0.312430D+01 -0.664429D+01 -0.249821D+02  0.440689D+00
      3   0.803405D+00 -0.899578D+00 -0.837595D+00 -0.256962D+01  0.266244D+01
      4   0.853521D+01  0.973101D+01  0.216666D+01 -0.343458D+01  0.308955D+02
      5  -0.147971D+01  0.536276D+02 -0.927329D+01 -0.384575D+01  0.467456D+01
      6  -0.297085D+01  0.152688D-01  0.293687D+01  0.182897D+01 -0.522680D+01
                11            12            13            14            15 
      1   0.567326D+02 -0.405533D+01 -0.862331D+02  0.309536D+02  0.320567D+01
      2  -0.381638D+02  0.117567D+01  0.568571D+02 -0.260318D+02 -0.174287D+01
      3  -0.185688D+02  0.287965D+01  0.293760D+02 -0.492184D+01 -0.146280D+01
      4   0.379680D+02 -0.807830D+01  0.310069D+02  0.278058D+02 -0.809666D+01
      5  -0.889307D+01  0.143714D+02  0.540924D+01 -0.593190D+01 -0.801568D+01
      6   0.367585D+01 -0.809841D+01 -0.585148D+01  0.267977D+01  0.492968D+01
                16            17            18            19            20 
      1   0.137322D+02 -0.116736D+02  0.143286D+01 -0.112005D+03  0.217029D+02
      2  -0.118211D+02  0.907556D+01 -0.655273D+01  0.509720D+02 -0.111315D+02
      3  -0.191105D+01  0.259802D+01  0.511987D+01  0.610331D+02 -0.105715D+02
      4  -0.691341D+01 -0.932937D+01 -0.169474D+02  0.293957D+02 -0.354560D+02
      5   0.272531D+02 -0.184764D+02  0.272745D+01  0.902417D+01  0.566552D+01
      6  -0.172227D+02  0.107579D+02  0.246193D+01  0.527250D+01  0.110837D+01
                21            22            23            24            25 
      1   0.598589D+01  0.908713D+02 -0.138810D+02 -0.709006D+01  0.185464D+01
      2  -0.278234D+01 -0.570814D+02 -0.431235D+01  0.604238D+01  0.152237D+01
      3  -0.320355D+01 -0.337899D+02  0.181933D+02  0.104768D+01 -0.337701D+01
      4   0.521296D+01 -0.153702D+02  0.239237D+02  0.229472D+01  0.261513D+01
      5   0.365419D+01 -0.455572D+01  0.362750D+01  0.779627D+01  0.562405D+01
      6  -0.280909D+00  0.172169D+01  0.570833D+01  0.390764D+01  0.496596D+01
                26            27            28            29            30 
      1   0.194100D+01 -0.159337D+02  0.991830D+02 -0.145979D+02 -0.831793D+01
      2   0.342709D+01  0.187126D+01 -0.442625D+02  0.836991D+01  0.288364D+01
      3  -0.536809D+01  0.140624D+02 -0.549205D+02  0.622796D+01  0.543429D+01
      4   0.846815D+01  0.260888D+02 -0.305280D+02  0.516265D+01  0.118231D+01
      5   0.271456D+02 -0.398773D+01 -0.775366D+01 -0.696189D+00 -0.613358D+01
      6   0.155949D+02 -0.192805D+01 -0.329252D+01  0.121024D+01  0.115965D+01
                31            32            33            34            35 
      1   0.864829D+02 -0.306253D+02 -0.548698D+01 -0.196682D+02  0.366639D+01
      2  -0.388188D+02  0.266561D+02  0.100830D+01  0.853326D+01 -0.322001D+01
      3  -0.476641D+02  0.396919D+01  0.447868D+01  0.111349D+02 -0.446383D+00
      4  -0.158147D+02  0.140722D+02 -0.524013D+00  0.419067D+01 -0.937062D+00
      5   0.329254D+01 -0.277042D+01  0.706571D+00  0.428771D+00  0.241367D+01
      6  -0.292198D+01  0.576589D+00 -0.917028D+00  0.360902D+01  0.320900D+01
                36            37            38            39            40 
      1  -0.657299D+01 -0.902080D+02  0.497545D+02  0.120214D+01 -0.867135D+02
      2  -0.249109D+01  0.452626D+02 -0.302924D+02 -0.183987D+01  0.471441D+02
      3   0.906408D+01  0.449454D+02 -0.194621D+02  0.637732D+00  0.395694D+02
      4   0.216807D+01  0.562228D+02 -0.547959D+01 -0.255823D+01 -0.705747D+01
      5   0.231309D+01  0.286974D+01 -0.112321D+01  0.150045D+01 -0.941338D+00
      6   0.118639D+01 -0.345863D+00 -0.146605D+01  0.687137D+00  0.365765D+01
                41            42            43            44            45 
      1  -0.324545D-02  0.673249D+01  0.131988D+02 -0.661107D+01 -0.125521D+02
      2   0.251509D+01 -0.484320D+01 -0.635736D+01  0.312562D+01 -0.720937D+00
      3  -0.251185D+01 -0.188928D+01 -0.684147D+01  0.348545D+01  0.132731D+02
      4  -0.282803D+01  0.110895D+01 -0.502307D+01  0.101797D+01  0.673599D+00
      5   0.235611D+01 -0.158560D-01 -0.243176D+01 -0.141794D+01  0.154458D+01
      6  -0.303000D+01 -0.262598D-01  0.190344D+01  0.184644D+01  0.579388D+00
                46            47            48            49            50 
      1   0.859828D+01 -0.524839D+02  0.197583D+01  0.197124D+01  0.247458D+02
      2  -0.704680D+01  0.333783D+02 -0.952753D-01 -0.769946D+01 -0.232115D+02
      3  -0.155148D+01  0.191056D+02 -0.188056D+01  0.572822D+01 -0.153436D+01
      4  -0.399727D+02 -0.308107D+02  0.505994D+01  0.339352D+02 -0.180889D+02
      5  -0.336273D+01  0.541390D+01 -0.988615D+01 -0.122629D+01 -0.126337D+00
      6   0.439063D+01  0.191090D+01  0.610141D+01  0.700059D+00  0.580777D+01
                51            52            53            54            55 
      1  -0.516585D+01 -0.332837D+01 -0.634668D+00 -0.218435D+02  0.107240D+02
      2   0.516687D+01  0.328847D+01  0.583773D+01  0.768573D+01 -0.106218D+02
      3  -0.102694D-02  0.398973D-01 -0.520306D+01  0.141578D+02 -0.102174D+00
      4  -0.118895D+01 -0.867121D+00  0.463054D+01 -0.109500D+02  0.123833D+02
      5  -0.169194D+01  0.359009D+00 -0.130771D+02  0.662232D+01  0.799552D+01
      6   0.476764D+01  0.769932D+00  0.211131D+02 -0.440226D+01  0.109442D+01
                56            57            58            59            60 
      1  -0.477230D+02  0.158065D+00  0.235047D+02 -0.268039D+01 -0.419650D+01
      2   0.416483D+02 -0.295972D-01 -0.209736D+02 -0.919151D+01  0.523042D+01
      3   0.607466D+01 -0.128468D+00 -0.253110D+01  0.118719D+02 -0.103393D+01
      4  -0.494296D+01  0.169018D+00 -0.249282D+01 -0.129005D+02  0.276543D+01
      5   0.303970D+01 -0.530707D+00 -0.271139D+01  0.248642D+01  0.158534D+01
      6   0.624190D+01  0.733576D+01  0.128643D+01  0.775469D+01  0.684018D+01
                61            62            63            64            65 
      1  -0.603972D+01  0.563682D+00 -0.256632D+02 -0.718299D+01  0.708879D+02
      2   0.590961D+01  0.325534D+01  0.155495D+02  0.308048D+01 -0.603213D+02
      3   0.130114D+00 -0.381902D+01  0.101137D+02  0.410251D+01 -0.105666D+02
      4   0.580107D+00  0.559327D+01  0.693017D+01  0.301576D+01 -0.203403D+02
      5   0.392736D+01  0.122118D+01  0.204192D+01 -0.880556D+00 -0.425426D+01
      6   0.508678D+01  0.271513D+02 -0.396289D+01 -0.284539D+01 -0.175321D+00
                66            67            68            69            70 
      1  -0.518548D+01 -0.239317D+02  0.336544D+02 -0.650513D+01  0.118686D+02
      2   0.401942D+01  0.302014D+02 -0.371740D+02  0.306834D+01 -0.103843D+02
      3   0.116605D+01 -0.626973D+01  0.351962D+01  0.343679D+01 -0.148429D+01
      4   0.105576D+01  0.668254D+01  0.104678D+02 -0.279616D+01 -0.180787D+01
      5   0.660867D+01  0.115302D+01 -0.575891D+01 -0.697013D+01  0.285274D+02
      6  -0.864039D+01 -0.698755D+01  0.936520D+00  0.408219D+01 -0.202883D+02
                71            72            73            74            75 
      1  -0.161806D+02 -0.119637D+02  0.124605D+01  0.932292D+01  0.219612D+01
      2   0.137198D+02  0.322328D+01 -0.191118D+02 -0.113743D+02  0.205762D+01
      3   0.246078D+01  0.874045D+01  0.178657D+02  0.205142D+01 -0.425375D+01
      4  -0.326816D+00 -0.112022D+02  0.304225D+02  0.942278D+01 -0.252985D+01
      5  -0.817648D+01  0.798626D-01 -0.327475D+01 -0.210927D+01  0.384742D+01
      6   0.152618D+02  0.602149D+01  0.284497D+01 -0.335287D+01 -0.214659D+01
                76            77            78            79            80 
      1   0.335089D+02 -0.716375D+02  0.377146D+01  0.126960D+02  0.459682D+01
      2  -0.229305D+02  0.684399D+02 -0.541882D+01 -0.189038D+01 -0.636672D+01
      3  -0.105785D+02  0.319763D+01  0.164735D+01 -0.108056D+02  0.176989D+01
      4  -0.404582D+02  0.219458D+01  0.148683D+01  0.491476D+01 -0.201602D+01
      5   0.442125D+01  0.403325D+01  0.314008D+01  0.318190D+02 -0.204237D+01
      6   0.339521D+01  0.328563D+01 -0.152260D+01 -0.742507D+01  0.427288D+01
                81            82            83            84            85 
      1  -0.303374D+01  0.592943D+02 -0.571010D+02 -0.180111D+01  0.659721D+01
      2  -0.887029D+01 -0.290664D+02  0.422132D+02 -0.129022D+01 -0.194257D+02
      3   0.119040D+02 -0.302279D+02  0.148878D+02  0.309133D+01  0.128285D+02
      4   0.464466D+01 -0.545979D+02  0.441987D+01  0.388758D+01  0.291499D+02
      5  -0.437829D+01  0.155699D+00  0.387128D+01 -0.450684D+01 -0.473669D+00
      6   0.312042D+01  0.129577D+01  0.344351D+01  0.256601D+00  0.195574D+01
                86            87            88            89            90 
      1   0.354961D+02 -0.485118D+00 -0.362840D+01  0.668381D+01 -0.873792D+01
      2  -0.378198D+02  0.454995D+01  0.556634D+00  0.881467D+00 -0.576467D+01
      3   0.232370D+01 -0.406484D+01  0.307176D+01 -0.756527D+01  0.145026D+02
      4  -0.578592D+01 -0.163735D+00  0.763779D+01  0.165359D+01  0.384766D+01
      5   0.868210D-01  0.683551D+01  0.408321D+01  0.994795D+01 -0.899849D+00
      6   0.819009D+00  0.288813D+01  0.296100D+01  0.675453D+01 -0.301225D+01
                91            92            93            94            95 
      1   0.156565D+02  0.860490D+01 -0.511774D+01 -0.297608D+01 -0.132055D+02
      2  -0.817161D+01 -0.283556D+01 -0.530710D+01  0.148236D+02  0.225672D+01
      3  -0.748490D+01 -0.576934D+01  0.104248D+02 -0.118475D+02  0.109487D+02
      4  -0.877165D+01 -0.173861D+02 -0.355268D+01 -0.344575D+02  0.324900D+02
      5   0.340680D+01 -0.334706D+01 -0.120807D+02  0.511752D+01  0.479911D+01
      6  -0.543995D+01  0.326968D+01 -0.389343D+01  0.476434D+01 -0.586911D+01
                96            97            98            99           100 
      1  -0.532296D+01 -0.187660D+02 -0.390404D+01 -0.134106D+02  0.182770D+02
      2  -0.641678D+01  0.601708D+01  0.187425D+00  0.961664D+01 -0.144120D+02
      3   0.117397D+02  0.127489D+02  0.371661D+01  0.379401D+01 -0.386498D+01
      4   0.363361D+01 -0.691384D+01 -0.761085D+00 -0.273312D+02  0.304978D+02
      5  -0.253466D+02 -0.635216D+02 -0.207547D+02  0.862274D+01 -0.140870D+01
      6  -0.429458D+01 -0.123766D+02 -0.551694D+01  0.263948D+01  0.460017D+00
               101           102           103           104           105 
      1   0.335997D+02  0.491236D+00 -0.120655D+01  0.148456D+02 -0.359622D+01
      2  -0.205365D+02  0.181107D+01  0.398212D+01 -0.660293D+01  0.252706D+01
      3  -0.130632D+02 -0.230231D+01 -0.277557D+01 -0.824265D+01  0.106915D+01
      4   0.465288D+01  0.554601D+00  0.415189D+02  0.127383D+02 -0.422457D+01
      5   0.536310D+00  0.286987D+02 -0.524989D+01 -0.245431D+01 -0.106877D+02
      6  -0.178124D+01 -0.460922D+01 -0.189855D+01  0.263974D+00  0.903890D+01
               106           107           108           109           110 
      1   0.145529D+00 -0.387906D+01 -0.106263D+00 -0.630623D+02 -0.482194D+02
      2   0.164418D+01  0.320384D+01 -0.538376D+00  0.391084D+02  0.248253D+02
      3  -0.178971D+01  0.675215D+00  0.644639D+00  0.239539D+02  0.233941D+02
      4  -0.518159D+01  0.168979D-01  0.776865D+01 -0.478284D+02  0.113109D+02
      5   0.900412D+01  0.616550D+01 -0.384311D+01  0.925242D+01  0.924604D+01
      6   0.343442D+01  0.389705D+01 -0.144406D+01  0.263321D+01 -0.183648D+01
               111           112           113           114           115 
      1   0.101025D+02 -0.418198D+02 -0.272131D+00  0.179016D+02  0.550668D+01
      2  -0.618385D+01  0.193152D+02 -0.435566D+00 -0.858260D+01 -0.243818D+01
      3  -0.391861D+01  0.225046D+02  0.707697D+00 -0.931901D+01 -0.306850D+01
      4   0.832261D+01 -0.287249D+02  0.276110D+02  0.104207D+02  0.116571D+02
      5  -0.821404D+01  0.136887D+02  0.992712D+01  0.740363D+02 -0.319262D+02
      6   0.153551D+01  0.149579D+01 -0.536850D+01 -0.210753D+02  0.137921D+02
               116           117           118           119           120 
      1   0.149904D+02 -0.258762D+01  0.363901D+02 -0.136039D+02 -0.171383D+01
      2  -0.783039D+01 -0.143208D+01 -0.121501D+02 -0.234082D+00  0.900564D+00
      3  -0.715999D+01  0.401971D+01 -0.242400D+02  0.138380D+02  0.813262D+00
      4   0.513870D+01  0.509030D+02 -0.323860D+02  0.266391D+02  0.183273D+00
      5   0.542163D+02 -0.156836D+02 -0.143538D+00 -0.999947D+00  0.299471D+01
      6  -0.169492D+02 -0.913412D-01  0.374216D+00  0.155625D+00 -0.166804D+01
               121           122           123           124           125 
      1  -0.168160D+02  0.584459D+01 -0.440643D-02 -0.245752D+01  0.465357D+00
      2  -0.429917D+01  0.153145D+02  0.871211D-02  0.215906D+01 -0.110173D+01
      3   0.211152D+02 -0.211591D+02 -0.430567D-02  0.298464D+00  0.636375D+00
      4   0.396726D+02 -0.449851D+02  0.765401D+00 -0.982670D+00  0.175594D+01
      5  -0.271592D+01  0.298945D+01 -0.482826D+01 -0.168799D+01 -0.120730D+01
      6   0.139135D+01 -0.134040D+01  0.425919D+01  0.973136D+00  0.160191D+01
               126           127           128           129           130 
      1  -0.166795D+01  0.358762D+01  0.796923D+01 -0.658189D+00  0.521805D+01
      2   0.148468D+01  0.384819D+01  0.171916D+01 -0.318280D-01  0.833173D+01
      3   0.183269D+00 -0.743582D+01 -0.968839D+01  0.690017D+00 -0.135498D+02
      4  -0.187530D+01  0.240323D+02  0.238386D+02 -0.378701D+01  0.319395D+02
      5   0.690932D+00 -0.219623D+01 -0.271485D+01  0.362830D+01 -0.308895D+01
      6  -0.532374D+00 -0.172930D+01 -0.199455D+01  0.224343D+01 -0.271821D+01
               131           132           133           134           135 
      1  -0.114925D+02  0.138482D+01 -0.536948D+00  0.321849D+00 -0.107713D+01
      2   0.291750D+02 -0.238478D+01 -0.596851D+00 -0.232608D+01  0.246498D+01
      3  -0.176825D+02  0.999963D+00  0.113380D+01  0.200423D+01 -0.138785D+01
      4   0.550575D+02 -0.684277D+01 -0.495630D+01 -0.741623D+01  0.300734D+01
      5  -0.430973D+01  0.647278D+01  0.305155D+01  0.132145D+01 -0.139719D+01
      6  -0.560911D+01  0.659845D+01  0.298976D+01  0.349134D+01 -0.184852D+01
               136           137           138           139           140 
      1  -0.649674D+01 -0.155994D+02  0.245317D+01 -0.665432D+01 -0.482620D+02
      2   0.708051D+01  0.150649D+02 -0.176387D+01  0.652633D+01  0.579889D+02
      3  -0.583774D+00  0.534450D+00 -0.689295D+00  0.127986D+00 -0.972692D+01
      4  -0.744871D+00  0.525526D+01 -0.854844D-01  0.250135D+01 -0.137812D+02
      5   0.462951D+00  0.374202D+00  0.886725D+00  0.412649D-01  0.394710D+01
      6  -0.133099D+01 -0.289450D+01  0.203102D+01 -0.876873D+00 -0.941922D+01
               141           142           143           144           145 
      1   0.572177D+01  0.124292D+01  0.661175D+01 -0.242311D+01 -0.639972D+01
      2  -0.518906D+01 -0.971904D+00 -0.675030D+01  0.254111D+01  0.983736D+01
      3  -0.532711D+00 -0.271011D+00  0.138546D+00 -0.117998D+00 -0.343764D+01
      4   0.187687D+01  0.184506D+00  0.125644D+01  0.150892D+01  0.775404D+01
      5  -0.205387D+01  0.131913D+01  0.413069D+00 -0.271834D+00  0.147695D+00
      6   0.736308D+01  0.333138D+00  0.370048D+01 -0.170450D+01 -0.963025D+00
               146           147           148           149           150 
      1  -0.107856D+02  0.190929D+01 -0.768082D+01 -0.547047D+02  0.568967D+01
      2   0.166142D+02 -0.201592D+01  0.108481D+02  0.771688D+02 -0.670370D+01
      3  -0.582855D+01  0.106634D+00 -0.316724D+01 -0.224641D+02  0.101403D+01
      4   0.166057D+02 -0.161549D+01  0.918488D+01  0.219472D+02 -0.184136D+01
      5  -0.109519D+00  0.212645D+01 -0.316934D+00  0.110591D+01  0.117692D+01
      6  -0.207255D+01  0.248416D+01 -0.894992D+00 -0.600299D+01  0.829944D+01
               151           152           153           154           155 
      1   0.610966D+00  0.720971D+01 -0.241306D+01  0.226731D+01  0.526327D+01
      2  -0.124859D+01 -0.904808D+01  0.299211D+01  0.104356D+02 -0.160345D+02
      3   0.637619D+00  0.183838D+01 -0.579045D+00 -0.127029D+02  0.107712D+02
      4  -0.114906D+01 -0.350739D+01  0.192008D+01 -0.292270D+02  0.255799D+02
      5  -0.670347D+00  0.202312D+01 -0.915883D+00 -0.167353D+01  0.316824D+00
      6  -0.421415D+00  0.418943D+01 -0.180997D+01  0.248778D+01 -0.212125D+01
               156           157           158           159           160 
      1  -0.246640D-01  0.107781D+02 -0.207580D+02 -0.713600D-01 -0.181671D+01
      2   0.120745D+00 -0.238573D+02  0.380303D+02  0.106950D+00  0.199732D+01
      3  -0.960809D-01  0.130793D+02 -0.172724D+02 -0.355898D-01 -0.180615D+00
      4   0.538987D+00  0.290273D+02 -0.356968D+02  0.137961D+00 -0.294229D+00
      5   0.337380D+01 -0.530908D+00  0.260999D+00 -0.353278D+01  0.686611D-01
      6  -0.318053D+01 -0.102446D+01  0.236113D+01  0.550129D+01  0.146428D+01
               161           162           163           164           165 
      1   0.144166D+01 -0.386528D+00  0.325962D+01  0.460178D-02 -0.224164D-01
      2  -0.207522D+01  0.155408D+01 -0.122027D+01  0.653614D+00  0.501283D+00
      3   0.633563D+00 -0.116755D+01 -0.203936D+01 -0.658216D+00 -0.478867D+00
      4   0.114686D+01 -0.213961D+01  0.633547D+01  0.786585D+01 -0.113944D+01
      5  -0.209253D+01  0.489167D+00 -0.173260D+01 -0.163250D+01  0.252971D+01
      6   0.281770D+01 -0.612469D+00 -0.152179D+01 -0.129873D+01  0.109969D+01
               166           167           168           169           170 
      1  -0.399957D+01 -0.169248D+02  0.280262D+01  0.189212D+01  0.116118D+01
      2   0.576670D+01  0.197606D+02 -0.144788D+01 -0.124793D+01 -0.123180D+01
      3  -0.176713D+01 -0.283581D+01 -0.135474D+01 -0.644196D+00  0.706156D-01
      4   0.115307D+02  0.165928D+02 -0.207621D+01 -0.104799D+01 -0.165356D+01
      5  -0.198051D+01 -0.168529D+01  0.321031D+01  0.336912D+01  0.399213D+00
      6  -0.294022D+01 -0.622358D+01  0.516205D+01  0.223407D+01  0.247127D+01
               171           172           173           174           175 
      1  -0.149632D+01  0.146046D+02 -0.134070D+02 -0.840936D+00 -0.185559D+02
      2   0.208849D+01 -0.207731D+01  0.385213D+01  0.882830D+00  0.513765D+01
      3  -0.592176D+00 -0.125273D+02  0.955491D+01 -0.418944D-01  0.134182D+02
      4   0.187649D+01 -0.234490D+02  0.200975D+02  0.275572D+01  0.263648D+02
      5   0.228021D+00 -0.397785D+01  0.358864D+01  0.828059D+01  0.650563D+01
      6  -0.943615D+00  0.409616D+01 -0.291205D+01 -0.407983D+00 -0.414943D+01
               176           177           178           179           180 
      1   0.616884D+01  0.489762D+00 -0.193767D+00  0.103293D+01  0.296551D+01
      2   0.944526D+01  0.220656D+00  0.132853D+01 -0.128362D+01 -0.139919D+01
      3  -0.156141D+02 -0.710418D+00 -0.113477D+01  0.250689D+00 -0.156632D+01
      4  -0.422266D+02 -0.382218D+01  0.381590D+01 -0.265462D+01 -0.501034D+01
      5  -0.485569D+01 -0.817086D+01  0.108599D+02 -0.453269D+01 -0.335218D+01
      6   0.860991D+01  0.405658D+01 -0.237413D+01  0.587609D+01  0.209603D+01
               181           182           183           184           185 
      1  -0.899136D+02 -0.154288D+02  0.321194D+02 -0.104015D+02  0.225416D+02
      2   0.488905D+02  0.144047D+02 -0.513427D+01  0.351694D+01 -0.161601D+02
      3   0.410232D+02  0.102407D+01 -0.269851D+02  0.688459D+01 -0.638150D+01
      4  -0.183020D+02  0.129964D+02  0.619513D+01  0.187448D+02 -0.175462D+02
      5   0.431428D+02  0.815194D+01  0.122067D+02 -0.456191D+01 -0.484095D+01
      6   0.444303D+01 -0.833999D+01 -0.695167D+00 -0.949299D+01  0.104851D+02
               186           187           188           189           190 
      1   0.166933D+02  0.984533D+01  0.123958D+02  0.242994D+02 -0.252547D+02
      2   0.992160D+01  0.881487D+01  0.474252D+01 -0.125977D+01  0.270177D+02
      3  -0.266149D+02 -0.186602D+02 -0.171383D+02 -0.230396D+02 -0.176296D+01
      4   0.991354D+00 -0.761071D+01  0.572008D+00  0.271987D+02  0.150953D+02
      5   0.334756D+02  0.324503D+02  0.206157D+02 -0.561034D+01 -0.380442D+02
      6   0.234066D+01  0.734308D+01  0.206466D+01 -0.179336D+02  0.528286D+01
               191           192           193           194           195 
      1   0.622076D+01 -0.136706D+02  0.264955D+02  0.423450D+01  0.150202D+02
      2  -0.392766D+01  0.185319D+02 -0.307042D+02 -0.984061D+01 -0.188324D+02
      3  -0.229310D+01 -0.486130D+01  0.420871D+01  0.560611D+01  0.381219D+01
      4  -0.127830D+01  0.843220D+01  0.621323D+01 -0.588403D+01  0.272288D+01
      5   0.908466D+01 -0.168498D+02  0.292510D+02  0.293499D+00  0.450707D+02
      6  -0.532115D+01  0.624902D+01  0.362495D+01  0.201229D+01  0.309782D+00
               196           197           198           199           200 
      1  -0.394663D+02  0.110541D+02 -0.763057D+01  0.195571D+03  0.237671D+02
      2   0.316679D+02 -0.104435D+02  0.187952D+02 -0.104289D+03 -0.132427D+02
      3   0.779833D+01 -0.610648D+00 -0.111646D+02 -0.912819D+02 -0.105243D+02
      4   0.193814D+02 -0.212010D+02  0.284242D+02  0.238575D+02  0.159759D+02
      5  -0.188166D+02  0.262415D+02 -0.213913D+02 -0.209786D+02 -0.274151D+01
      6   0.112742D+02 -0.565651D+01  0.125567D+02 -0.343102D+00 -0.687729D+00
               201           202           203           204           205 
      1  -0.165175D+02  0.661307D+02  0.211241D+02 -0.613159D+01 -0.205507D+02
      2   0.991462D+01 -0.355629D+02 -0.108425D+02  0.380876D+01  0.126203D+02
      3   0.660291D+01 -0.305678D+02 -0.102816D+02  0.232283D+01  0.793046D+01
      4  -0.238868D+01  0.260857D+02  0.171950D+02 -0.379631D+01 -0.284042D+01
      5   0.184596D+02 -0.730854D+01 -0.395049D+01  0.465038D+01  0.262473D+02
      6  -0.487731D+00 -0.121959D+01 -0.628700D+00  0.186487D+01 -0.226210D+00
               206           207           208           209           210 
      1  -0.322231D+01  0.177585D+02 -0.573196D+00 -0.406434D+01 -0.124568D+02
      2   0.209036D+01 -0.105978D+02 -0.441981D-01  0.219767D+01  0.540991D+01
      3   0.113195D+01 -0.716079D+01  0.617394D+00  0.186668D+01  0.704686D+01
      4  -0.335729D+01 -0.103807D+01 -0.808928D+00 -0.192858D+01  0.147568D+01
      5  -0.121887D+01 -0.586359D+01 -0.998353D+01  0.646003D+00 -0.265563D+01
      6   0.272154D+01 -0.724620D-01  0.238670D+01  0.105884D+01  0.214819D+01
               211           212           213           214           215 
      1  -0.175227D+02  0.266067D+01  0.338052D+00 -0.321580D+02  0.189791D+01
      2   0.717807D+01  0.490399D+01  0.148324D+01  0.179551D+02 -0.523744D+00
      3   0.103446D+02 -0.756466D+01 -0.182129D+01  0.142028D+02 -0.137417D+01
      4   0.304230D+02 -0.431893D+02 -0.290176D+02  0.216728D+02 -0.294399D+02
      5   0.181392D+02 -0.293168D+02 -0.355038D+02  0.336747D+02 -0.352840D+02
      6  -0.843186D+01  0.142116D+02  0.145086D+02 -0.111872D+02  0.148654D+02
               216           217           218           219           220 
      1   0.191298D+01  0.148410D+02 -0.451111D+01  0.137117D+02 -0.172806D+02
      2  -0.694151D+01 -0.760978D+01  0.186834D+01 -0.630175D+01  0.655949D+01
      3   0.502853D+01 -0.723125D+01  0.264276D+01 -0.740992D+01  0.107211D+02
      4  -0.331558D+02 -0.489109D+01  0.219912D+01 -0.715523D+01  0.282322D+02
      5  -0.473423D+02  0.163790D+02 -0.664234D+01  0.446543D+01 -0.196230D+02
      6   0.159933D+02 -0.371743D+01  0.132541D+01  0.187251D+00  0.557500D+01
               221           222           223           224           225 
      1   0.917888D+01 -0.865777D+01  0.492353D+02 -0.131919D+02  0.132437D+02
      2  -0.292832D-01  0.172503D+01 -0.269325D+02  0.512133D+01 -0.113146D+02
      3  -0.914960D+01  0.693274D+01 -0.223028D+02  0.807053D+01 -0.192905D+01
      4  -0.300170D+02  0.204387D+02 -0.283019D+02  0.260085D+02 -0.303854D+02
      5   0.216177D+02 -0.305281D+02  0.431887D+02 -0.333862D+02  0.617214D+02
      6  -0.700745D+01  0.104480D+02 -0.110125D+02  0.111149D+02 -0.135945D+02
               226           227           228           229           230 
      1  -0.585415D+00 -0.369706D+01 -0.195651D+02 -0.581402D+01 -0.109721D+02
      2  -0.358158D+01 -0.584679D+00 -0.981824D+00  0.438628D+01  0.725405D+00
      3   0.416700D+01  0.428173D+01  0.205469D+02  0.142774D+01  0.102467D+02
      4  -0.195262D+01 -0.360325D+01 -0.276729D+01 -0.182828D+01 -0.741547D+01
      5  -0.548570D+01 -0.446893D+00 -0.728466D+01  0.617562D+01 -0.775737D+01
      6   0.157619D+01  0.345420D+01  0.161830D+01  0.740217D+00  0.660847D+01
               231           232           233           234           235 
      1  -0.135589D+02 -0.109137D+02 -0.884990D+01 -0.365288D+02  0.843447D+00
      2  -0.750455D+01  0.510317D+01 -0.396993D+01 -0.192047D+02  0.191813D+01
      3   0.210635D+02  0.581049D+01  0.128198D+02  0.557335D+02 -0.276157D+01
      4  -0.106843D+02 -0.120491D+01 -0.851246D+01 -0.128906D+02  0.420174D+01
      5  -0.231829D+02  0.702608D+01 -0.953456D+01 -0.450188D+02  0.363741D+00
      6   0.984880D+01  0.569996D+00  0.818159D+01  0.802564D+01 -0.257647D+01
               236           237           238           239           240 
      1   0.104202D+02 -0.603488D+01  0.123599D+02 -0.208038D+02  0.420176D+01
      2  -0.785056D+01 -0.274445D+00 -0.764051D+01  0.223711D+02 -0.393175D+00
      3  -0.256960D+01  0.630933D+01 -0.471938D+01 -0.156731D+01 -0.380858D+01
      4  -0.569530D+01  0.125280D+01  0.397012D+01  0.332719D+02 -0.750915D+01
      5  -0.136265D+01 -0.487421D+01 -0.833701D+01 -0.328856D+01  0.896530D+01
      6   0.572557D+01 -0.264732D+01  0.108877D+00 -0.217883D+02  0.870220D+01
               241           242           243           244           245 
      1   0.666018D+00  0.230520D+01 -0.785621D+01  0.121388D+03  0.112856D+02
      2  -0.187101D+01 -0.715484D+00  0.282665D+01 -0.712138D+02 -0.582554D+01
      3   0.120499D+01 -0.158971D+01  0.502956D+01 -0.501745D+02 -0.546003D+01
      4   0.143506D+01 -0.123149D+01  0.168802D+01  0.270412D+02  0.145088D+02
      5  -0.255342D+01  0.171975D+01  0.836535D+00 -0.697383D+02 -0.841278D+01
      6  -0.895114D+00  0.499673D+01 -0.131606D+01 -0.681625D+01 -0.503553D+01
               246           247           248           249           250 
      1  -0.240820D+02  0.823950D+01  0.833733D+01 -0.254430D+01 -0.694342D+01
      2   0.203545D+02 -0.350642D+01 -0.329507D+01 -0.408367D-01  0.906430D+01
      3   0.372746D+01 -0.473308D+01 -0.504226D+01  0.258514D+01 -0.212088D+01
      4  -0.721276D+01  0.172791D+02  0.704844D+01 -0.485145D+01 -0.142134D+01
      5   0.314509D+02 -0.447675D+01 -0.660618D+01 -0.369191D+00  0.212868D+02
      6   0.387513D+01 -0.554355D+01 -0.297451D+01  0.306380D+01  0.264176D+01
               251           252           253           254           255 
      1  -0.157886D+01  0.913592D+01  0.778741D+02 -0.224478D+02  0.327649D+02
      2   0.232456D+00 -0.100043D+02 -0.517008D+02  0.126182D+02 -0.248228D+02
      3   0.134640D+01  0.868350D+00 -0.261733D+02  0.982956D+01 -0.794203D+01
      4  -0.171079D+01  0.532194D+00 -0.247104D+02  0.211701D+02 -0.781135D+01
      5   0.104028D+01 -0.123711D+02  0.586038D+02 -0.121777D+02  0.395979D+02
      6   0.165118D+01 -0.197936D+00 -0.759899D+01  0.718460D+01 -0.420704D+01
               256           257           258           259           260 
      1  -0.433586D+02  0.113617D+02 -0.899156D+01  0.516044D+02 -0.512062D+01
      2   0.325244D+02 -0.660867D+01  0.152797D+02 -0.467302D+02  0.102442D+02
      3   0.108341D+02 -0.475301D+01 -0.628816D+01 -0.487417D+01 -0.512354D+01
      4   0.229909D+02 -0.351107D+02  0.208371D+02 -0.117811D+02  0.283204D+02
      5  -0.347682D+02  0.213566D+02 -0.355396D+02  0.720730D+02 -0.252278D+02
      6   0.945684D+01 -0.141731D+02  0.134438D+02 -0.509053D+01  0.160635D+02
               261           262           263           264           265 
      1   0.143993D+02 -0.169164D+01  0.117110D+02  0.998731D+00  0.159190D+02
      2  -0.407013D+02  0.468517D+01 -0.519621D+01 -0.229600D+00 -0.525809D+01
      3   0.263020D+02 -0.299353D+01 -0.651483D+01 -0.769131D+00 -0.106609D+02
      4  -0.241486D+02 -0.339753D+00 -0.172512D+01 -0.121274D+02  0.130527D+02
      5   0.733362D+02 -0.909375D+01 -0.817425D+01 -0.100779D+02 -0.773234D+01
      6  -0.131497D+02 -0.322414D+01 -0.626853D+01 -0.883649D+01 -0.573244D+01
               266           267           268           269           270 
      1  -0.108843D+02 -0.482706D+01 -0.623657D+01 -0.581632D+01 -0.698851D+01
      2   0.289320D+02  0.439866D+01  0.268914D+01  0.178502D+01  0.615433D+01
      3  -0.180478D+02  0.428393D+00  0.354743D+01  0.403129D+01  0.834179D+00
      4   0.301381D+02 -0.129102D+02 -0.241438D+02 -0.241988D+02 -0.202238D+02
      5  -0.126083D+02 -0.134890D+02 -0.200458D+02 -0.183844D+02 -0.375213D+02
      6   0.331186D+01 -0.120047D+01 -0.141942D+02 -0.735640D+01 -0.181669D+02
               271           272           273           274           275 
      1   0.917385D+01  0.738231D+01  0.773441D+01  0.342963D+01 -0.286224D+01
      2  -0.429824D+01 -0.329348D+01 -0.471033D+01  0.976558D+00  0.626518D+01
      3  -0.487561D+01 -0.408883D+01 -0.302409D+01 -0.440619D+01 -0.340294D+01
      4   0.180215D+02  0.157372D+02  0.136178D+02  0.146880D+02  0.239764D+02
      5   0.157984D+02  0.122619D+02  0.164019D+02  0.951749D+01  0.129510D+02
      6   0.908740D+01  0.679751D+01  0.764946D+01  0.698042D+01  0.124510D+02
               276           277           278           279 
      1  -0.150203D+01  0.632754D+01 -0.182438D+01 -0.236423D+01
      2   0.260779D+01 -0.600716D+01 -0.646286D-01 -0.661052D+01
      3  -0.110576D+01 -0.320376D+00  0.188901D+01  0.897475D+01
      4   0.140826D+02  0.246252D+02  0.305080D+02  0.315524D+02
      5   0.142837D+02  0.291967D+02  0.285483D+02  0.441928D+02
      6   0.105891D+02  0.156986D+02  0.200759D+02  0.252123D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Sep 23 14:50:45 2021, MaxMem=  5368709120 cpu:           47742.5 elap:            5969.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.19670 -19.17764 -19.13931 -10.32676 -10.25440
 Alpha  occ. eigenvalues --  -10.24892 -10.21426 -10.20251 -10.20134 -10.19879
 Alpha  occ. eigenvalues --  -10.19780 -10.19732 -10.19250 -10.19187 -10.19103
 Alpha  occ. eigenvalues --  -10.18982 -10.18567  -1.10833  -1.06528  -1.01709
 Alpha  occ. eigenvalues --   -0.87870  -0.83813  -0.79794  -0.77596  -0.74041
 Alpha  occ. eigenvalues --   -0.73364  -0.69161  -0.67035  -0.64090  -0.61702
 Alpha  occ. eigenvalues --   -0.60491  -0.58762  -0.54239  -0.52396  -0.52102
 Alpha  occ. eigenvalues --   -0.49560  -0.48400  -0.48046  -0.47750  -0.46820
 Alpha  occ. eigenvalues --   -0.45406  -0.44979  -0.43822  -0.42745  -0.42396
 Alpha  occ. eigenvalues --   -0.41584  -0.40558  -0.40087  -0.39236  -0.38827
 Alpha  occ. eigenvalues --   -0.36921  -0.36325  -0.35413  -0.34936  -0.33526
 Alpha  occ. eigenvalues --   -0.33215  -0.31613  -0.29615  -0.28069  -0.24620
 Alpha  occ. eigenvalues --   -0.21428
 Alpha virt. eigenvalues --   -0.05327  -0.02530   0.00295   0.00325   0.01081
 Alpha virt. eigenvalues --    0.01433   0.03096   0.03445   0.04170   0.04527
 Alpha virt. eigenvalues --    0.05800   0.06567   0.06777   0.07469   0.07877
 Alpha virt. eigenvalues --    0.08085   0.08995   0.09478   0.10317   0.10582
 Alpha virt. eigenvalues --    0.11118   0.11606   0.11780   0.12269   0.12632
 Alpha virt. eigenvalues --    0.13116   0.13693   0.14214   0.14420   0.15094
 Alpha virt. eigenvalues --    0.15718   0.16180   0.16978   0.17186   0.17638
 Alpha virt. eigenvalues --    0.18388   0.18892   0.19302   0.19948   0.20168
 Alpha virt. eigenvalues --    0.20457   0.21153   0.21298   0.22019   0.22861
 Alpha virt. eigenvalues --    0.23162   0.23510   0.23765   0.24086   0.24836
 Alpha virt. eigenvalues --    0.25179   0.25804   0.26325   0.26792   0.26939
 Alpha virt. eigenvalues --    0.27309   0.28183   0.28732   0.28916   0.29348
 Alpha virt. eigenvalues --    0.29654   0.29957   0.30423   0.31021   0.31423
 Alpha virt. eigenvalues --    0.31628   0.32062   0.32181   0.32658   0.33279
 Alpha virt. eigenvalues --    0.33657   0.33838   0.34273   0.34383   0.34811
 Alpha virt. eigenvalues --    0.34971   0.35211   0.35633   0.35946   0.36400
 Alpha virt. eigenvalues --    0.36587   0.37144   0.37203   0.37491   0.37892
 Alpha virt. eigenvalues --    0.38157   0.38408   0.39018   0.39102   0.39461
 Alpha virt. eigenvalues --    0.39565   0.40256   0.40310   0.40657   0.41150
 Alpha virt. eigenvalues --    0.41803   0.41909   0.42217   0.42467   0.42877
 Alpha virt. eigenvalues --    0.42990   0.43262   0.43448   0.44118   0.44409
 Alpha virt. eigenvalues --    0.44618   0.45445   0.45879   0.46554   0.47059
 Alpha virt. eigenvalues --    0.47404   0.47645   0.48161   0.48393   0.49011
 Alpha virt. eigenvalues --    0.49214   0.49722   0.50265   0.50826   0.50977
 Alpha virt. eigenvalues --    0.51478   0.51955   0.52394   0.52703   0.53479
 Alpha virt. eigenvalues --    0.53803   0.53863   0.54398   0.55218   0.55555
 Alpha virt. eigenvalues --    0.55886   0.56400   0.56851   0.57449   0.57710
 Alpha virt. eigenvalues --    0.58511   0.58782   0.59122   0.59839   0.60208
 Alpha virt. eigenvalues --    0.60732   0.61163   0.61373   0.62192   0.62577
 Alpha virt. eigenvalues --    0.63095   0.63821   0.64268   0.65066   0.66088
 Alpha virt. eigenvalues --    0.66279   0.67831   0.68098   0.68585   0.68741
 Alpha virt. eigenvalues --    0.69361   0.69637   0.69853   0.70424   0.70642
 Alpha virt. eigenvalues --    0.71417   0.71678   0.72152   0.72683   0.73214
 Alpha virt. eigenvalues --    0.74618   0.75163   0.75490   0.76059   0.76477
 Alpha virt. eigenvalues --    0.76976   0.77170   0.77871   0.79463   0.80010
 Alpha virt. eigenvalues --    0.80800   0.81787   0.81913   0.82833   0.83114
 Alpha virt. eigenvalues --    0.84432   0.85066   0.86133   0.87006   0.88265
 Alpha virt. eigenvalues --    0.88583   0.88822   0.89164   0.91125   0.91470
 Alpha virt. eigenvalues --    0.92792   0.93028   0.93188   0.93663   0.94908
 Alpha virt. eigenvalues --    0.95987   0.96682   0.97340   0.98352   0.99102
 Alpha virt. eigenvalues --    0.99472   0.99781   1.00764   1.02182   1.02405
 Alpha virt. eigenvalues --    1.02902   1.03248   1.04067   1.04763   1.06269
 Alpha virt. eigenvalues --    1.06489   1.07569   1.07825   1.08590   1.10157
 Alpha virt. eigenvalues --    1.10713   1.11518   1.11893   1.12273   1.14555
 Alpha virt. eigenvalues --    1.15412   1.16233   1.17237   1.18331   1.18781
 Alpha virt. eigenvalues --    1.19339   1.20167   1.21216   1.22906   1.23005
 Alpha virt. eigenvalues --    1.24286   1.25365   1.27182   1.28081   1.29073
 Alpha virt. eigenvalues --    1.29853   1.30575   1.31740   1.32540   1.33655
 Alpha virt. eigenvalues --    1.35062   1.35414   1.36332   1.37775   1.38536
 Alpha virt. eigenvalues --    1.39471   1.40321   1.42042   1.43664   1.45461
 Alpha virt. eigenvalues --    1.45821   1.47404   1.48878   1.49170   1.50132
 Alpha virt. eigenvalues --    1.50635   1.51699   1.54477   1.55405   1.57471
 Alpha virt. eigenvalues --    1.57861   1.59000   1.59451   1.60173   1.61332
 Alpha virt. eigenvalues --    1.61991   1.63753   1.64233   1.64913   1.66278
 Alpha virt. eigenvalues --    1.66713   1.67436   1.68728   1.70715   1.72425
 Alpha virt. eigenvalues --    1.72745   1.73785   1.74568   1.75565   1.76978
 Alpha virt. eigenvalues --    1.78030   1.79799   1.80325   1.82240   1.82558
 Alpha virt. eigenvalues --    1.83410   1.84524   1.87674   1.88131   1.89165
 Alpha virt. eigenvalues --    1.89436   1.89903   1.90459   1.92036   1.92644
 Alpha virt. eigenvalues --    1.93993   1.94211   1.95185   1.96044   1.97400
 Alpha virt. eigenvalues --    1.98860   1.99006   2.00054   2.01483   2.02190
 Alpha virt. eigenvalues --    2.02727   2.04740   2.04844   2.05236   2.06187
 Alpha virt. eigenvalues --    2.06888   2.07829   2.09128   2.09632   2.10213
 Alpha virt. eigenvalues --    2.10927   2.13309   2.13828   2.15494   2.16194
 Alpha virt. eigenvalues --    2.18477   2.18898   2.20736   2.21041   2.22793
 Alpha virt. eigenvalues --    2.24682   2.24836   2.26780   2.28218   2.28700
 Alpha virt. eigenvalues --    2.29405   2.30070   2.30966   2.32177   2.33491
 Alpha virt. eigenvalues --    2.34236   2.36352   2.38822   2.38933   2.41690
 Alpha virt. eigenvalues --    2.43537   2.43807   2.45245   2.46467   2.47200
 Alpha virt. eigenvalues --    2.50373   2.51324   2.52621   2.54638   2.55936
 Alpha virt. eigenvalues --    2.56328   2.58041   2.58481   2.59635   2.60418
 Alpha virt. eigenvalues --    2.63563   2.66834   2.69384   2.70028   2.73379
 Alpha virt. eigenvalues --    2.77655   2.80372   2.81610   2.85236   2.86319
 Alpha virt. eigenvalues --    2.88523   2.92037   2.92565   2.93209   2.93900
 Alpha virt. eigenvalues --    2.94573   2.94872   2.97216   2.98272   3.00235
 Alpha virt. eigenvalues --    3.00841   3.01685   3.04007   3.04815   3.08519
 Alpha virt. eigenvalues --    3.09270   3.10133   3.12505   3.13087   3.15675
 Alpha virt. eigenvalues --    3.15711   3.19110   3.21170   3.21570   3.25775
 Alpha virt. eigenvalues --    3.28710   3.31972   3.39112   3.48629   3.57361
 Alpha virt. eigenvalues --    3.61808   3.65667   3.80159   3.83064   3.95542
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    8.798924  -1.301323  -0.865226   0.211641  -0.728962   0.597729
     2  C   -1.301323   7.969552  -0.097574  -0.616071   0.619272  -0.186642
     3  C   -0.865226  -0.097574  10.919384  -1.053488  -0.539596  -0.433686
     4  C    0.211641  -0.616071  -1.053488  12.713018  -1.079789  -0.786559
     5  C   -0.728962   0.619272  -0.539596  -1.079789  12.652843  -1.182594
     6  C    0.597729  -0.186642  -0.433686  -0.786559  -1.182594   9.238195
     7  C    0.219642   0.026882  -1.142526  -1.732399  -0.110078   0.227986
     8  C    0.006944   0.015070   0.032141   0.450340  -0.561035   0.080491
     9  C    0.014914  -0.034231   0.143134  -1.143747   0.121903   0.159263
    10  C    0.082269   0.065822   0.047096   0.243783  -2.035637  -0.587018
    11  C   -0.000582  -0.000825  -0.001706   0.133113   0.055520  -0.003038
    12  O   -0.109730   0.126289  -0.001314   0.057981   0.018664   0.002688
    13  C    0.147842  -0.052804  -0.007279  -0.002802   0.000858   0.038112
    14  H   -0.603440  -0.508107   0.085344   0.184389  -0.005155  -0.521541
    15  H   -0.868482   0.134576  -0.531162  -0.085168   0.024788   0.052443
    16  H    0.078842  -0.609158   0.048386   0.013246  -0.205851  -0.534073
    17  H    0.047030  -0.011572  -0.376285  -0.855360  -0.049858  -0.000049
    18  H   -0.003012  -0.000007   0.022236  -0.062750   0.281689  -0.009316
    19  H   -0.003605   0.044607  -0.008403   0.127847  -0.706617  -0.206055
    20  H   -0.000011   0.000008  -0.000075   0.015899   0.020104   0.000791
    21  C   -0.000063   0.000064  -0.000231  -0.005500  -0.012560   0.000891
    22  C    0.000086   0.000044  -0.000461   0.002541  -0.036765  -0.000058
    23  H    0.026490   0.087799   0.010303   0.000171  -0.002044  -0.003039
    24  H   -0.007328   0.008703   0.003086  -0.002666   0.001425   0.002037
    25  H   -0.009098   0.007875   0.002864  -0.002446   0.001389   0.002561
    26  H   -0.000023   0.000005   0.000024   0.000630   0.001864   0.000238
    27  H    0.000038  -0.000005  -0.000086   0.000100   0.004964  -0.002847
    28  H    0.000001  -0.000001  -0.000010  -0.000386  -0.002213  -0.000025
    29  O    0.000011   0.000015   0.000122  -0.002058   0.001063  -0.000043
    30  O   -0.000129   0.000095  -0.000087   0.004577   0.035240   0.000518
    31  H   -0.000001   0.000002  -0.000002  -0.000347  -0.002476   0.000256
               7          8          9         10         11         12
     1  C    0.219642   0.006944   0.014914   0.082269  -0.000582  -0.109730
     2  C    0.026882   0.015070  -0.034231   0.065822  -0.000825   0.126289
     3  C   -1.142526   0.032141   0.143134   0.047096  -0.001706  -0.001314
     4  C   -1.732399   0.450340  -1.143747   0.243783   0.133113   0.057981
     5  C   -0.110078  -0.561035   0.121903  -2.035637   0.055520   0.018664
     6  C    0.227986   0.080491   0.159263  -0.587018  -0.003038   0.002688
     7  C    9.327524  -0.756098   0.890385  -0.303111   0.011013  -0.015249
     8  C   -0.756098   9.792421  -0.934861  -0.150299  -0.852859  -0.001274
     9  C    0.890385  -0.934861  12.716040  -1.844627   0.142174  -0.001795
    10  C   -0.303111  -0.150299  -1.844627  10.834229  -0.639902  -0.003816
    11  C    0.011013  -0.852859   0.142174  -0.639902   7.159879   0.000012
    12  O   -0.015249  -0.001274  -0.001795  -0.003816   0.000012   8.871417
    13  C    0.000833  -0.000010  -0.000079  -0.000826  -0.000002   0.143539
    14  H   -0.005086  -0.000636   0.000377   0.022436   0.000075  -0.293249
    15  H   -0.024111   0.041319  -0.017498  -0.000611  -0.000335   0.056199
    16  H   -0.030240  -0.006525   0.029785  -0.209342   0.000880   0.012935
    17  H   -0.057704  -0.906128   0.015530   0.164249   0.024197  -0.000910
    18  H   -0.871494   0.232998  -1.486664   0.076577  -0.447209   0.000121
    19  H    0.173791   0.012386  -1.599975   0.289505  -0.259871  -0.000278
    20  H    0.023356  -0.119914  -0.382696   0.190330   0.108489  -0.000001
    21  C    0.001868   0.030124   0.005564  -0.065027   0.276427   0.000001
    22  C   -0.012243  -0.019700   0.071773  -0.015913   0.162427  -0.000000
    23  H    0.000055  -0.000001  -0.000001   0.000061   0.000000  -0.301785
    24  H   -0.000129   0.000005  -0.000001  -0.000093  -0.000000   0.119992
    25  H   -0.000124   0.000005  -0.000003  -0.000122  -0.000000   0.119881
    26  H   -0.001864   0.030221  -0.022732  -0.023824   0.159471   0.000001
    27  H    0.000831  -0.005569  -0.000898  -0.023817   0.136913  -0.000000
    28  H    0.000050  -0.021067   0.000869  -0.011365   0.209112   0.000000
    29  O    0.003755  -0.029655   0.032681  -0.031543  -0.038174  -0.000000
    30  O    0.005353  -0.013813   0.032189  -0.120229  -0.120370   0.000003
    31  H   -0.000221   0.001653  -0.018313   0.011102   0.035760   0.000000
              13         14         15         16         17         18
     1  C    0.147842  -0.603440  -0.868482   0.078842   0.047030  -0.003012
     2  C   -0.052804  -0.508107   0.134576  -0.609158  -0.011572  -0.000007
     3  C   -0.007279   0.085344  -0.531162   0.048386  -0.376285   0.022236
     4  C   -0.002802   0.184389  -0.085168   0.013246  -0.855360  -0.062750
     5  C    0.000858  -0.005155   0.024788  -0.205851  -0.049858   0.281689
     6  C    0.038112  -0.521541   0.052443  -0.534073  -0.000049  -0.009316
     7  C    0.000833  -0.005086  -0.024111  -0.030240  -0.057704  -0.871494
     8  C   -0.000010  -0.000636   0.041319  -0.006525  -0.906128   0.232998
     9  C   -0.000079   0.000377  -0.017498   0.029785   0.015530  -1.486664
    10  C   -0.000826   0.022436  -0.000611  -0.209342   0.164249   0.076577
    11  C   -0.000002   0.000075  -0.000335   0.000880   0.024197  -0.447209
    12  O    0.143539  -0.293249   0.056199   0.012935  -0.000910   0.000121
    13  C    3.954445  -0.108509  -0.019552   0.004010   0.000076  -0.000004
    14  H   -0.108509   2.927024   0.013937  -0.168514  -0.000028   0.000013
    15  H   -0.019552   0.013937   2.205579  -0.008742  -0.086620  -0.001269
    16  H    0.004010  -0.168514  -0.008742   2.576200   0.001658   0.000089
    17  H    0.000076  -0.000028  -0.086620   0.001658   3.431918  -0.882141
    18  H   -0.000004   0.000013  -0.001269   0.000089  -0.882141   3.867202
    19  H   -0.000045   0.001116   0.001854  -0.256699  -0.017175   0.038508
    20  H   -0.000000  -0.000000  -0.000017   0.000069   0.002336  -0.042078
    21  C    0.000000  -0.000009  -0.000014   0.001156  -0.000130  -0.021581
    22  C    0.000000  -0.000005  -0.000026  -0.000018   0.000680  -0.025565
    23  H    0.327410   0.095918  -0.000970  -0.000284   0.000000   0.000000
    24  H    0.202021  -0.046163   0.001665  -0.000398  -0.000007  -0.000000
    25  H    0.202616  -0.044537   0.001739  -0.000325  -0.000006  -0.000000
    26  H   -0.000000  -0.000001  -0.000000   0.000096  -0.000343   0.010228
    27  H    0.000000   0.000001  -0.000000  -0.001854   0.000076  -0.001790
    28  H    0.000000   0.000000   0.000000  -0.000039   0.000022  -0.004566
    29  O    0.000000  -0.000000   0.000015  -0.000015   0.000059  -0.012370
    30  O    0.000000  -0.000020  -0.000009   0.000391   0.000172  -0.004478
    31  H   -0.000000   0.000000   0.000000  -0.000021  -0.000001   0.000314
              19         20         21         22         23         24
     1  C   -0.003605  -0.000011  -0.000063   0.000086   0.026490  -0.007328
     2  C    0.044607   0.000008   0.000064   0.000044   0.087799   0.008703
     3  C   -0.008403  -0.000075  -0.000231  -0.000461   0.010303   0.003086
     4  C    0.127847   0.015899  -0.005500   0.002541   0.000171  -0.002666
     5  C   -0.706617   0.020104  -0.012560  -0.036765  -0.002044   0.001425
     6  C   -0.206055   0.000791   0.000891  -0.000058  -0.003039   0.002037
     7  C    0.173791   0.023356   0.001868  -0.012243   0.000055  -0.000129
     8  C    0.012386  -0.119914   0.030124  -0.019700  -0.000001   0.000005
     9  C   -1.599975  -0.382696   0.005564   0.071773  -0.000001  -0.000001
    10  C    0.289505   0.190330  -0.065027  -0.015913   0.000061  -0.000093
    11  C   -0.259871   0.108489   0.276427   0.162427   0.000000  -0.000000
    12  O   -0.000278  -0.000001   0.000001  -0.000000  -0.301785   0.119992
    13  C   -0.000045  -0.000000   0.000000   0.000000   0.327410   0.202021
    14  H    0.001116  -0.000000  -0.000009  -0.000005   0.095918  -0.046163
    15  H    0.001854  -0.000017  -0.000014  -0.000026  -0.000970   0.001665
    16  H   -0.256699   0.000069   0.001156  -0.000018  -0.000284  -0.000398
    17  H   -0.017175   0.002336  -0.000130   0.000680   0.000000  -0.000007
    18  H    0.038508  -0.042078  -0.021581  -0.025565   0.000000  -0.000000
    19  H    3.283003   0.036123  -0.008343  -0.035134   0.000000   0.000002
    20  H    0.036123   1.527916  -0.220183  -0.090850   0.000000  -0.000000
    21  C   -0.008343  -0.220183   4.118477   0.066346  -0.000000  -0.000000
    22  C   -0.035134  -0.090850   0.066346   5.035506  -0.000000   0.000000
    23  H    0.000000   0.000000  -0.000000  -0.000000   2.073755  -0.271302
    24  H    0.000002  -0.000000  -0.000000   0.000000  -0.271302   0.846704
    25  H   -0.000001  -0.000000   0.000000  -0.000000  -0.271673   0.016050
    26  H   -0.020189   0.012541   0.132703   0.026755  -0.000000  -0.000000
    27  H    0.014251   0.002455   0.220408  -0.026671  -0.000000   0.000000
    28  H   -0.007486   0.002107   0.165135  -0.018480   0.000000   0.000000
    29  O   -0.003417  -0.038553   0.001372   0.133668   0.000000   0.000000
    30  O   -0.008867   0.006568   0.004234   0.035498  -0.000000  -0.000000
    31  H    0.000752  -0.002537   0.006426   0.093964   0.000000  -0.000000
              25         26         27         28         29         30
     1  C   -0.009098  -0.000023   0.000038   0.000001   0.000011  -0.000129
     2  C    0.007875   0.000005  -0.000005  -0.000001   0.000015   0.000095
     3  C    0.002864   0.000024  -0.000086  -0.000010   0.000122  -0.000087
     4  C   -0.002446   0.000630   0.000100  -0.000386  -0.002058   0.004577
     5  C    0.001389   0.001864   0.004964  -0.002213   0.001063   0.035240
     6  C    0.002561   0.000238  -0.002847  -0.000025  -0.000043   0.000518
     7  C   -0.000124  -0.001864   0.000831   0.000050   0.003755   0.005353
     8  C    0.000005   0.030221  -0.005569  -0.021067  -0.029655  -0.013813
     9  C   -0.000003  -0.022732  -0.000898   0.000869   0.032681   0.032189
    10  C   -0.000122  -0.023824  -0.023817  -0.011365  -0.031543  -0.120229
    11  C   -0.000000   0.159471   0.136913   0.209112  -0.038174  -0.120370
    12  O    0.119881   0.000001  -0.000000   0.000000  -0.000000   0.000003
    13  C    0.202616  -0.000000   0.000000   0.000000   0.000000   0.000000
    14  H   -0.044537  -0.000001   0.000001   0.000000  -0.000000  -0.000020
    15  H    0.001739  -0.000000  -0.000000   0.000000   0.000015  -0.000009
    16  H   -0.000325   0.000096  -0.001854  -0.000039  -0.000015   0.000391
    17  H   -0.000006  -0.000343   0.000076   0.000022   0.000059   0.000172
    18  H   -0.000000   0.010228  -0.001790  -0.004566  -0.012370  -0.004478
    19  H   -0.000001  -0.020189   0.014251  -0.007486  -0.003417  -0.008867
    20  H   -0.000000   0.012541   0.002455   0.002107  -0.038553   0.006568
    21  C    0.000000   0.132703   0.220408   0.165135   0.001372   0.004234
    22  C   -0.000000   0.026755  -0.026671  -0.018480   0.133668   0.035498
    23  H   -0.271673  -0.000000  -0.000000   0.000000   0.000000  -0.000000
    24  H    0.016050  -0.000000   0.000000   0.000000   0.000000  -0.000000
    25  H    0.846969  -0.000000   0.000000   0.000000   0.000000   0.000000
    26  H   -0.000000   0.814231   0.003422  -0.069941  -0.005133   0.007644
    27  H    0.000000   0.003422   0.805539  -0.032391  -0.000900   0.034373
    28  H    0.000000  -0.069941  -0.032391   0.853380   0.004648  -0.024647
    29  O    0.000000  -0.005133  -0.000900   0.004648   8.455764   0.001564
    30  O    0.000000   0.007644   0.034373  -0.024647   0.001564   8.310663
    31  H    0.000000  -0.000280   0.000193   0.002601  -0.064480   0.135441
              31
     1  C   -0.000001
     2  C    0.000002
     3  C   -0.000002
     4  C   -0.000347
     5  C   -0.002476
     6  C    0.000256
     7  C   -0.000221
     8  C    0.001653
     9  C   -0.018313
    10  C    0.011102
    11  C    0.035760
    12  O    0.000000
    13  C   -0.000000
    14  H    0.000000
    15  H    0.000000
    16  H   -0.000021
    17  H   -0.000001
    18  H    0.000314
    19  H    0.000752
    20  H   -0.002537
    21  C    0.006426
    22  C    0.093964
    23  H    0.000000
    24  H   -0.000000
    25  H    0.000000
    26  H   -0.000280
    27  H    0.000193
    28  H    0.002601
    29  O   -0.064480
    30  O    0.135441
    31  H    0.739927
 Mulliken charges:
               1
     1  C    0.268613
     2  C    0.311641
     3  C   -0.254925
     4  C   -0.727740
     5  C   -0.580353
     6  C    0.052385
     7  C    0.149353
     8  C   -0.346671
     9  C   -0.888461
    10  C    0.039661
    11  C   -0.250589
    12  O   -0.800319
    13  C    1.170149
    14  H   -0.025630
    15  H    0.110471
    16  H    0.264353
    17  H    0.556314
    18  H    0.346318
    19  H    0.118412
    20  H   -0.052178
    21  C    1.302447
    22  C    0.652598
    23  H   -0.770861
    24  H    0.126398
    25  H    0.126387
    26  H   -0.055745
    27  H   -0.126735
    28  H   -0.045307
    29  O   -0.408396
    30  O   -0.321875
    31  H    0.060284
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.268613
     2  C    0.286011
     3  C   -0.144454
     4  C   -0.727740
     5  C   -0.580353
     6  C    0.316739
     7  C    0.705667
     8  C   -0.000354
     9  C   -0.888461
    10  C    0.158074
    11  C   -0.302767
    12  O   -0.800319
    13  C    0.652073
    21  C    1.074659
    22  C    0.652598
    29  O   -0.408396
    30  O   -0.261591
 Electronic spatial extent (au):  <R**2>=           5465.7549
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.0035    Y=             -2.3365    Z=              1.2551  Tot=              3.3239
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -93.5283   YY=            -92.8239   ZZ=           -104.2802
   XY=             -1.2254   XZ=             -6.7759   YZ=              4.0640
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              3.3492   YY=              4.0536   ZZ=             -7.4028
   XY=             -1.2254   XZ=             -6.7759   YZ=              4.0640
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             99.6594  YYY=             -3.3253  ZZZ=             -9.8630  XYY=             -3.3454
  XXY=            -64.2774  XXZ=             22.8434  XZZ=             -2.8557  YZZ=            -14.3296
  YYZ=             -9.3976  XYZ=            -20.0482
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5520.0801 YYYY=           -795.8790 ZZZZ=           -453.7099 XXXY=            -29.2662
 XXXZ=           -130.3337 YYYX=             31.2886 YYYZ=             11.9858 ZZZX=             18.6065
 ZZZY=             27.9617 XXYY=          -1072.9719 XXZZ=          -1100.7465 YYZZ=           -213.4017
 XXYZ=             95.0177 YYXZ=             32.1489 ZZXY=             48.7747
 N-N= 1.132644851740D+03 E-N=-4.048712861584D+03  KE= 7.590921658852D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Sep 23 14:50:46 2021, MaxMem=  5368709120 cpu:               5.1 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.85317116D-01-9.09046616D-01 4.60014775D-01
 Polarizability= 2.70359522D+02-1.56599650D+01 1.67802612D+02
                -7.41308291D+00-4.46928583D+00 1.13059248D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        4.1225    4.1236      -10.3265  -10.3270
 2     -4.1225   -4.1236        2.5004    2.5007      -61.8070  -61.8058
 3     10.3265   10.3270       93.0018   93.0025       -2.5010   -2.5007
 4     -2.5004   -2.5007       -0.0000    0.0000       10.3269   10.3270
 5    -31.1947  -31.1967      -10.3269  -10.3270        4.1199    4.1236
 6      2.5010    2.5007       -4.1199   -4.1236       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000      -12.3708  -12.3708      -30.9810  -30.9810
 2     -7.5020   -7.5020       -0.0000    0.0000      -30.9810  -30.9810
 3     -7.5020   -7.5020      -12.3708  -12.3708        0.0000    0.0000
 4    -12.3708  -12.3708        7.5020    7.5020     -185.4173 -185.4173
 5     30.9810   30.9810      279.0075  279.0075       -7.5020   -7.5020
 6    -93.5901  -93.5901      -30.9810  -30.9810       12.3708   12.3708
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0169    0.0000      -16.3535  -16.4944       40.9182   41.3080
 2     16.4781   16.4944       -9.9250  -10.0027      247.3472  247.2231
 3    -41.4433  -41.3080     -371.7695 -372.0099        9.9854   10.0027
 4      9.9877   10.0027       -0.0114    0.0000      -41.3607  -41.3080
 5    124.7573  124.7868       41.5140   41.3080      -16.5563  -16.4944
 6     -9.9163  -10.0027       16.8067   16.4944       -0.0640    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1456    0.0000      118.6065  118.5299       66.7971   66.9107
 2   -118.5280 -118.5299      -71.1101  -71.0701       31.6577   31.5823
 3    -66.9956  -66.9107      -34.1741  -34.0454       70.6806   71.0701
 4     71.0970   71.0701        0.0152    0.0000      -66.7843  -66.9107
 5      2.7080    2.4630       67.1360   66.9107      118.6600  118.5299
 6    -71.1763  -71.0701     -118.5288 -118.5299       -0.0844    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     66.3027   66.4712       47.4735   47.5858      -33.6112  -33.8179
 2    180.4470  180.5333      137.2369  137.1265      -33.5808  -33.8179
 3    180.4619  180.5333       47.7418   47.5858     -102.0452 -102.1765
 4    -89.7130  -89.5407     -113.5371 -114.0621       16.1860   16.3186
 5    -68.3016  -68.3586      -21.5249  -21.2397      114.1240  114.0621
 6      5.4463    4.9211       69.2881   68.3586       89.3695   89.5407
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.6532   -2.7523    0.0003    0.0005    0.0006    1.6950
 Low frequencies ---   13.8199   39.0318   49.3098
 Diagonal vibrational polarizability:
       46.2960990      24.0401293      36.5759428
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     13.7814                39.0304                49.3078
 Red. masses --      4.4733                 6.8440                 6.3200
 Frc consts  --      0.0005                 0.0061                 0.0091
 IR Inten    --      0.1492                 0.7172                 1.3348
 RamAct Fr= 1--      6.4559                 2.2862                 1.1639
  Dep-P Fr= 1--      0.7490                 0.7488                 0.7442
  Dep-U Fr= 1--      0.8565                 0.8564                 0.8533
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0001
 Beta2  Fr= 1--      0.9216                 0.3263                 0.1655
 AlphaG Fr= 1--      0.0027                 0.0008                -0.0045
 Gamma2 Fr= 1--     -0.8454                -2.5598                 2.5353
 Delta2 Fr= 1--     -0.7338                -0.8974                 0.4484
 Raman1 Fr= 1--      25.823                  9.145                  4.656
 ROA1   Fr= 1--    -104.642               -274.455                257.738
 CID1   Fr= 1--      -4.052                -30.012                 55.359
 Raman2 Fr= 1--      11.059                  3.916                  1.986
 ROA2   Fr= 1--     -14.419                -54.255                 57.261
 CID2   Fr= 1--      -1.304                -13.856                 28.826
 Raman3 Fr= 1--      22.118                  7.831                  3.973
 ROA3   Fr= 1--    -104.642               -274.455                257.738
 CID3   Fr= 1--      -4.731                -35.046                 64.874
 RC180  Fr= 1--       0.713                  0.713                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.02    -0.03   0.01  -0.01    -0.01  -0.02   0.04
     2   6     0.03   0.01   0.14    -0.02   0.01   0.07    -0.02  -0.01   0.07
     3   6    -0.02  -0.02  -0.11    -0.03   0.01   0.01     0.01  -0.00   0.06
     4   6    -0.01  -0.03  -0.07    -0.03   0.01   0.08     0.01   0.02   0.09
     5   6     0.02  -0.02   0.09    -0.02   0.01   0.14    -0.00   0.03   0.10
     6   6     0.04   0.00   0.18    -0.01   0.02   0.15    -0.02   0.01   0.11
     7   6    -0.03  -0.05  -0.16    -0.03   0.01   0.07     0.02   0.02   0.07
     8   6    -0.03  -0.06  -0.11    -0.03   0.00   0.07     0.01   0.03   0.03
     9   6     0.00  -0.05   0.04    -0.02   0.01   0.10    -0.00   0.04   0.01
    10   6     0.02  -0.03   0.13    -0.02   0.01   0.15    -0.01   0.04   0.07
    11   6     0.01  -0.06   0.06    -0.03  -0.01   0.01    -0.01   0.04  -0.07
    12   8    -0.01   0.01  -0.07    -0.05  -0.00  -0.12    -0.01  -0.04  -0.03
    13   6     0.02   0.03   0.03    -0.06  -0.01  -0.28    -0.04  -0.07  -0.24
    14   1     0.05   0.03   0.21    -0.02   0.01   0.06    -0.03  -0.01   0.07
    15   1    -0.04  -0.02  -0.23    -0.04   0.00  -0.05     0.02  -0.01   0.03
    16   1     0.06   0.01   0.30    -0.01   0.02   0.20    -0.03   0.02   0.13
    17   1    -0.06  -0.05  -0.28    -0.04   0.00   0.03     0.03   0.02   0.07
    18   1    -0.04  -0.07  -0.18    -0.04  -0.00   0.04     0.02   0.04  -0.00
    19   1     0.05  -0.02   0.24    -0.01   0.01   0.18    -0.01   0.04   0.07
    20   1     0.01  -0.06   0.18    -0.05  -0.02  -0.03    -0.03   0.04  -0.13
    21   6     0.01  -0.19  -0.02    -0.12  -0.02  -0.03    -0.09   0.09  -0.06
    22   6    -0.01   0.09   0.00     0.12  -0.01  -0.07     0.02  -0.03  -0.05
    23   1     0.00   0.04  -0.04    -0.07  -0.02  -0.41    -0.05  -0.10  -0.35
    24   1     0.01  -0.06   0.11    -0.19   0.01  -0.27    -0.19  -0.00  -0.27
    25   1     0.04   0.14   0.08     0.07  -0.04  -0.29     0.08  -0.15  -0.28
    26   1     0.04  -0.30   0.03    -0.20  -0.01   0.00    -0.13   0.11  -0.05
    27   1    -0.03  -0.20  -0.15    -0.09  -0.01   0.01    -0.08   0.08  -0.00
    28   1     0.01  -0.16  -0.01    -0.12  -0.05  -0.12    -0.09   0.09  -0.12
    29   8    -0.05   0.18   0.09     0.40   0.03  -0.22    -0.26  -0.13   0.05
    30   8     0.01   0.10  -0.16    -0.06  -0.04   0.04     0.37   0.02  -0.14
    31   1     0.00   0.19  -0.18     0.09  -0.03  -0.02     0.33  -0.03  -0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --     74.5962               115.8049               139.2808
 Red. masses --      3.9686                 5.1213                 3.8393
 Frc consts  --      0.0130                 0.0405                 0.0439
 IR Inten    --      2.0603                 0.7265                 0.6041
 RamAct Fr= 1--      1.3805                 0.5421                 2.2416
  Dep-P Fr= 1--      0.7455                 0.5926                 0.5968
  Dep-U Fr= 1--      0.8542                 0.7442                 0.7475
 Alpha2 Fr= 1--      0.0001                 0.0016                 0.0064
 Beta2  Fr= 1--      0.1965                 0.0672                 0.2793
 AlphaG Fr= 1--      0.0039                -0.0226                 0.0216
 Gamma2 Fr= 1--     -0.8807                -1.1894                 2.8171
 Delta2 Fr= 1--      0.0947                -0.6950                 1.8443
 Raman1 Fr= 1--       5.522                  2.168                  8.967
 ROA1   Fr= 1--     -81.512               -136.423                329.464
 CID1   Fr= 1--     -14.761                -62.918                 36.744
 Raman2 Fr= 1--       2.358                  0.807                  3.351
 ROA2   Fr= 1--     -21.894                -22.986                 52.856
 CID2   Fr= 1--      -9.283                -28.489                 15.773
 Raman3 Fr= 1--       4.717                  1.614                  6.702
 ROA3   Fr= 1--     -81.512               -136.423                329.464
 CID3   Fr= 1--     -17.281                -84.543                 49.157
 RC180  Fr= 1--       0.708                  0.488                  0.495
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.13    -0.05  -0.00   0.04    -0.01   0.01   0.01
     2   6    -0.04  -0.02  -0.11    -0.08  -0.00  -0.04    -0.04   0.04   0.08
     3   6    -0.03  -0.01  -0.09    -0.04   0.01  -0.06     0.03   0.06   0.04
     4   6    -0.02   0.01  -0.01    -0.05   0.03  -0.12     0.02   0.10   0.05
     5   6    -0.03   0.01   0.01    -0.06   0.04  -0.09     0.00   0.10   0.01
     6   6    -0.04  -0.00  -0.04    -0.09   0.02  -0.11    -0.04   0.08   0.07
     7   6    -0.01   0.02   0.06    -0.05   0.03  -0.16     0.01   0.10   0.07
     8   6    -0.01   0.03   0.11    -0.05   0.05  -0.07    -0.00   0.09   0.01
     9   6    -0.01   0.03   0.09    -0.03   0.06   0.04    -0.00   0.08  -0.07
    10   6    -0.02   0.02   0.06    -0.04   0.06  -0.01     0.01   0.09  -0.07
    11   6    -0.02   0.01   0.03    -0.01  -0.02   0.11     0.02  -0.04  -0.03
    12   8    -0.04  -0.04  -0.20    -0.02  -0.03   0.25    -0.00  -0.09  -0.12
    13   6    -0.01  -0.00   0.25    -0.10  -0.10  -0.03    -0.08  -0.16   0.03
    14   1    -0.05  -0.02  -0.15    -0.10  -0.01  -0.02    -0.06   0.02   0.11
    15   1    -0.02  -0.01  -0.10    -0.01   0.00  -0.03     0.07   0.04   0.02
    16   1    -0.05   0.00  -0.04    -0.12   0.03  -0.13    -0.08   0.10   0.10
    17   1    -0.01   0.02   0.06    -0.06   0.03  -0.22     0.01   0.11   0.12
    18   1    -0.00   0.03   0.14    -0.05   0.05  -0.08    -0.00   0.09   0.03
    19   1    -0.02   0.02   0.05    -0.03   0.06   0.03     0.02   0.09  -0.11
    20   1    -0.04   0.00   0.01    -0.07  -0.05   0.16    -0.07  -0.09   0.06
    21   6    -0.07   0.00   0.01     0.09  -0.12   0.07     0.21  -0.17  -0.05
    22   6     0.08  -0.00  -0.00     0.10  -0.00   0.06    -0.02  -0.05  -0.02
    23   1     0.00  -0.00   0.33    -0.07  -0.13   0.08    -0.05  -0.26  -0.09
    24   1     0.19  -0.22   0.40    -0.17   0.13  -0.22    -0.17  -0.29   0.16
    25   1    -0.19   0.24   0.39    -0.12  -0.35  -0.18    -0.09   0.01   0.13
    26   1    -0.13   0.01   0.03     0.09  -0.15   0.09     0.25  -0.20  -0.05
    27   1    -0.04   0.01   0.03     0.16  -0.09   0.00     0.31  -0.12  -0.16
    28   1    -0.07  -0.02  -0.05     0.10  -0.20   0.11     0.23  -0.30   0.05
    29   8     0.07  -0.03  -0.01     0.16   0.00   0.03    -0.03  -0.05  -0.01
    30   8     0.19   0.01  -0.02     0.21   0.01   0.02    -0.07  -0.06  -0.00
    31   1     0.25   0.00  -0.05     0.32   0.03  -0.04    -0.10  -0.05   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.3410               195.6067               231.0924
 Red. masses --      3.1684                 3.3765                 1.7281
 Frc consts  --      0.0621                 0.0761                 0.0544
 IR Inten    --      0.8368                 0.5546                 0.9944
 RamAct Fr= 1--      0.0750                 2.4515                 0.5028
  Dep-P Fr= 1--      0.7474                 0.7042                 0.2818
  Dep-U Fr= 1--      0.8554                 0.8264                 0.4396
 Alpha2 Fr= 1--      0.0000                 0.0020                 0.0054
 Beta2  Fr= 1--      0.0107                 0.3377                 0.0368
 AlphaG Fr= 1--     -0.0008                -0.0152                 0.0024
 Gamma2 Fr= 1--      0.1338                -3.0108                 0.3127
 Delta2 Fr= 1--      0.0050                -1.7638                 0.0688
 Raman1 Fr= 1--       0.300                  9.806                  2.011
 ROA1   Fr= 1--      13.003               -345.480                 32.218
 CID1   Fr= 1--      43.362                -35.232                 16.020
 Raman2 Fr= 1--       0.128                  4.052                  0.442
 ROA2   Fr= 1--       3.171                -58.149                  6.953
 CID2   Fr= 1--      24.722                -14.350                 15.728
 Raman3 Fr= 1--       0.257                  8.104                  0.884
 ROA3   Fr= 1--      13.003               -345.480                 32.218
 CID3   Fr= 1--      50.691                -42.630                 36.438
 RC180  Fr= 1--       0.711                  0.653                 -0.121
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.02    -0.05  -0.03   0.05     0.02   0.07   0.01
     2   6     0.01   0.00   0.21    -0.04  -0.05  -0.00     0.03   0.06  -0.00
     3   6    -0.04  -0.04  -0.14    -0.04  -0.04   0.19     0.01   0.06   0.01
     4   6    -0.03  -0.04  -0.11    -0.04  -0.05   0.11     0.00   0.03  -0.00
     5   6    -0.03  -0.04  -0.14    -0.04  -0.06   0.02     0.02   0.02  -0.02
     6   6    -0.01  -0.02   0.05    -0.04  -0.06  -0.00     0.04   0.04  -0.03
     7   6     0.00  -0.01   0.06    -0.01  -0.03  -0.01    -0.03  -0.00  -0.00
     8   6     0.01   0.01   0.17    -0.02  -0.02  -0.14    -0.03  -0.05  -0.00
     9   6    -0.01  -0.01  -0.02    -0.02  -0.01  -0.10    -0.00  -0.06   0.00
    10   6    -0.04  -0.04  -0.20    -0.05  -0.03  -0.05     0.03  -0.04  -0.02
    11   6    -0.00   0.01   0.01     0.01   0.02   0.01    -0.00  -0.03   0.02
    12   8    -0.03   0.02   0.01    -0.09   0.02  -0.10     0.04  -0.00  -0.01
    13   6     0.01   0.05  -0.02     0.00   0.11  -0.01    -0.07  -0.11   0.02
    14   1     0.04   0.03   0.44    -0.03  -0.05  -0.07     0.03   0.07   0.01
    15   1    -0.05  -0.04  -0.20    -0.04  -0.03   0.24    -0.01   0.07   0.02
    16   1     0.01  -0.01   0.14    -0.04  -0.07  -0.05     0.06   0.03  -0.04
    17   1     0.02  -0.01   0.17     0.02  -0.05  -0.02    -0.08   0.01   0.00
    18   1     0.04   0.03   0.38    -0.03  -0.03  -0.24    -0.05  -0.07   0.00
    19   1    -0.06  -0.04  -0.30    -0.08  -0.02  -0.05     0.06  -0.05  -0.02
    20   1     0.01   0.02   0.00     0.01   0.02   0.02     0.04  -0.01  -0.02
    21   6     0.03   0.04   0.03     0.18   0.07   0.09    -0.06   0.05   0.05
    22   6     0.01   0.01   0.01     0.02   0.02   0.01     0.00  -0.02   0.01
    23   1    -0.04   0.06  -0.31    -0.05   0.17  -0.17    -0.04  -0.23  -0.12
    24   1    -0.15  -0.09   0.14     0.01  -0.04   0.12    -0.23  -0.17   0.11
    25   1     0.23   0.20   0.07     0.13   0.27   0.08    -0.05  -0.00   0.08
    26   1     0.06   0.06   0.01     0.48   0.02  -0.01     0.33  -0.14  -0.00
    27   1     0.03   0.04   0.04     0.03   0.01  -0.01    -0.48  -0.12  -0.08
    28   1     0.03   0.04   0.07     0.19   0.22   0.36    -0.08   0.50   0.27
    29   8     0.03   0.02  -0.00     0.07   0.04  -0.01     0.03   0.01   0.02
    30   8     0.05   0.02  -0.01     0.08   0.03  -0.02     0.00  -0.02  -0.04
    31   1     0.08   0.02  -0.02     0.16   0.04  -0.06     0.02   0.02  -0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    232.5516               248.2345               271.7265
 Red. masses --      1.3354                 1.7323                 2.5185
 Frc consts  --      0.0425                 0.0629                 0.1096
 IR Inten    --      0.2266                 0.2440                 0.8921
 RamAct Fr= 1--      1.5685                 0.9750                 1.6444
  Dep-P Fr= 1--      0.6303                 0.3362                 0.6690
  Dep-U Fr= 1--      0.7732                 0.5032                 0.8017
 Alpha2 Fr= 1--      0.0034                 0.0089                 0.0024
 Beta2  Fr= 1--      0.2021                 0.0818                 0.2197
 AlphaG Fr= 1--      0.0091                -0.0078                 0.0218
 Gamma2 Fr= 1--      1.1741                -0.0477                 0.8439
 Delta2 Fr= 1--      0.0914                 0.4367                 0.0070
 Raman1 Fr= 1--       6.274                  3.900                  6.577
 ROA1   Fr= 1--     115.640                  9.400                 81.234
 CID1   Fr= 1--      18.431                  2.410                 12.350
 Raman2 Fr= 1--       2.426                  0.981                  2.637
 ROA2   Fr= 1--      27.447                 -4.637                 20.197
 CID2   Fr= 1--      11.316                 -4.726                  7.660
 Raman3 Fr= 1--       4.851                  1.963                  5.273
 ROA3   Fr= 1--     115.640                  9.400                 81.234
 CID3   Fr= 1--      23.837                  4.790                 15.405
 RC180  Fr= 1--       0.546                  0.006                  0.603
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.04    -0.01   0.04  -0.01     0.02   0.02   0.05
     2   6    -0.01  -0.02   0.00     0.01   0.03   0.02     0.03   0.03   0.09
     3   6    -0.02  -0.02  -0.08    -0.01   0.03  -0.00     0.02   0.02   0.11
     4   6    -0.01  -0.01  -0.01    -0.01   0.00   0.01     0.01  -0.00   0.02
     5   6    -0.01  -0.00   0.04     0.01  -0.01   0.01    -0.00  -0.01  -0.07
     6   6    -0.01  -0.01   0.05     0.02   0.01   0.03     0.02   0.01   0.02
     7   6     0.01   0.01   0.04    -0.03  -0.01   0.02    -0.01  -0.01  -0.03
     8   6     0.01   0.02   0.05    -0.02  -0.04   0.00    -0.01  -0.02  -0.05
     9   6     0.00   0.02  -0.01     0.00  -0.05  -0.02    -0.01  -0.02  -0.04
    10   6    -0.01   0.01   0.03     0.01  -0.04  -0.03    -0.01  -0.03  -0.14
    11   6     0.00   0.01  -0.02     0.01  -0.04  -0.01    -0.02   0.03   0.04
    12   8    -0.02   0.00   0.02    -0.00   0.01  -0.03     0.01  -0.01  -0.12
    13   6     0.01   0.03  -0.00    -0.07  -0.05   0.01    -0.01  -0.02  -0.01
    14   1    -0.01  -0.02  -0.00     0.02   0.04   0.01     0.03   0.03   0.11
    15   1    -0.01  -0.03  -0.11    -0.03   0.04  -0.01     0.01   0.03   0.13
    16   1    -0.01   0.00   0.09     0.04   0.01   0.05     0.03   0.00   0.03
    17   1     0.03   0.00   0.06    -0.05  -0.00   0.03    -0.02  -0.01  -0.03
    18   1     0.02   0.03   0.08    -0.04  -0.06   0.01    -0.01  -0.02  -0.05
    19   1    -0.02   0.02   0.03     0.03  -0.05  -0.05    -0.01  -0.04  -0.20
    20   1    -0.00   0.00  -0.02     0.02  -0.03  -0.06     0.02   0.04   0.09
    21   6     0.07   0.01  -0.00     0.06   0.10   0.09    -0.11  -0.07  -0.05
    22   6    -0.01  -0.01  -0.02     0.00  -0.03  -0.01     0.00   0.05   0.05
    23   1     0.04   0.10   0.41    -0.00  -0.09   0.33     0.05  -0.00   0.47
    24   1     0.26   0.25  -0.26     0.08   0.11  -0.16     0.28   0.17  -0.25
    25   1    -0.24  -0.24  -0.16    -0.32  -0.22  -0.09    -0.37  -0.25  -0.14
    26   1     0.41  -0.16  -0.06    -0.21   0.41   0.03    -0.15  -0.19   0.03
    27   1    -0.20  -0.10  -0.18     0.36   0.22   0.37    -0.15  -0.09  -0.14
    28   1     0.06   0.29   0.24     0.07  -0.20  -0.03    -0.12  -0.03  -0.14
    29   8    -0.01  -0.02  -0.03     0.03   0.04   0.03     0.01   0.00   0.01
    30   8    -0.01  -0.01  -0.02    -0.01  -0.02  -0.10     0.06   0.05   0.13
    31   1    -0.01  -0.01  -0.02    -0.02   0.05  -0.12     0.12  -0.02   0.13
                     13                     14                     15
                      A                      A                      A
 Frequencies --    304.4287               350.6857               394.0340
 Red. masses --      4.1539                 4.9942                 5.2777
 Frc consts  --      0.2268                 0.3619                 0.4828
 IR Inten    --      0.3516                 1.1133                 0.5238
 RamAct Fr= 1--      9.6416                10.7433                 0.6320
  Dep-P Fr= 1--      0.1258                 0.2300                 0.7445
  Dep-U Fr= 1--      0.2235                 0.3740                 0.8535
 Alpha2 Fr= 1--      0.1584                 0.1346                 0.0001
 Beta2  Fr= 1--      0.3592                 0.6696                 0.0899
 AlphaG Fr= 1--      0.1018                -0.0076                 0.0040
 Gamma2 Fr= 1--     -0.1108                 0.3862                -0.7272
 Delta2 Fr= 1--     -0.5860                 0.5672                -0.8953
 Raman1 Fr= 1--      38.566                 42.973                  2.528
 ROA1   Fr= 1--     -29.388                 55.224                -98.466
 CID1   Fr= 1--      -0.762                  1.285                -38.951
 Raman2 Fr= 1--       4.310                  8.035                  1.079
 ROA2   Fr= 1--       2.029                  4.730                -10.291
 CID2   Fr= 1--       0.471                  0.589                 -9.539
 Raman3 Fr= 1--       8.621                 16.070                  2.158
 ROA3   Fr= 1--     -29.388                 55.224                -98.466
 CID3   Fr= 1--      -3.409                  3.436                -45.635
 RC180  Fr= 1--      -0.553                 -0.252                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.09   0.05     0.10   0.03  -0.06     0.07   0.07   0.15
     2   6    -0.04  -0.05   0.06     0.03   0.06  -0.05     0.05   0.06   0.08
     3   6     0.08  -0.03   0.07     0.03   0.01  -0.07     0.01   0.01   0.16
     4   6     0.03   0.08  -0.02    -0.01   0.01   0.03    -0.02  -0.10  -0.11
     5   6    -0.02   0.10  -0.06    -0.04   0.02   0.05    -0.04  -0.08  -0.08
     6   6    -0.07   0.05  -0.01     0.03   0.06   0.03     0.03  -0.04  -0.12
     7   6    -0.02   0.07  -0.05    -0.10  -0.05   0.08     0.02  -0.08  -0.20
     8   6    -0.03   0.06  -0.01    -0.12  -0.08  -0.01     0.04   0.06   0.17
     9   6    -0.05   0.06   0.03    -0.15  -0.07  -0.05    -0.02   0.09   0.23
    10   6    -0.02   0.09  -0.06    -0.08  -0.03   0.01    -0.06   0.04   0.13
    11   6    -0.06  -0.09   0.06    -0.19   0.03   0.03    -0.06   0.05   0.02
    12   8     0.04  -0.11  -0.05     0.17  -0.07   0.03     0.05   0.04  -0.11
    13   6     0.23   0.05  -0.03     0.21  -0.08  -0.01    -0.02  -0.03  -0.01
    14   1    -0.08  -0.10   0.09     0.00   0.04  -0.06     0.06   0.06   0.07
    15   1     0.16  -0.06   0.08    -0.02   0.04  -0.08    -0.08   0.05   0.20
    16   1    -0.15   0.08  -0.02     0.08   0.05   0.04     0.11  -0.08  -0.21
    17   1    -0.05   0.08  -0.08    -0.17  -0.01   0.13     0.08  -0.13  -0.38
    18   1    -0.02   0.08  -0.02    -0.10  -0.07  -0.02     0.11   0.12   0.24
    19   1     0.00   0.08  -0.08    -0.01  -0.05   0.02    -0.13   0.06   0.11
    20   1    -0.13  -0.11  -0.01    -0.14   0.04   0.13    -0.13   0.02   0.02
    21   6    -0.12   0.01   0.12     0.07  -0.02   0.10     0.08   0.00   0.05
    22   6    -0.00  -0.10   0.03    -0.14   0.08  -0.02    -0.04   0.01  -0.07
    23   1     0.15   0.25   0.08     0.18  -0.03  -0.08     0.04  -0.12   0.11
    24   1     0.43   0.07  -0.10     0.19  -0.09   0.01     0.00  -0.01  -0.04
    25   1     0.25  -0.02  -0.07     0.29  -0.06   0.00    -0.18  -0.04  -0.02
    26   1    -0.07   0.03   0.09     0.13   0.08   0.02     0.20   0.01  -0.01
    27   1    -0.23  -0.04   0.20     0.26   0.06   0.06     0.15   0.04  -0.03
    28   1    -0.13   0.15   0.12     0.10  -0.22   0.29     0.10  -0.08   0.22
    29   8     0.05   0.01   0.08    -0.03  -0.01  -0.17    -0.06  -0.08  -0.13
    30   8    -0.05  -0.10  -0.16     0.06   0.11   0.07    -0.04   0.01  -0.07
    31   1    -0.04   0.06  -0.22     0.35   0.00  -0.02    -0.07   0.04  -0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.0250               422.8950               468.1367
 Red. masses --      3.3019                 4.3421                 4.8720
 Frc consts  --      0.3383                 0.4575                 0.6291
 IR Inten    --      0.0888                 0.8879                 3.3294
 RamAct Fr= 1--      2.4313                 0.7120                 1.5538
  Dep-P Fr= 1--      0.7464                 0.2739                 0.1456
  Dep-U Fr= 1--      0.8548                 0.4300                 0.2542
 Alpha2 Fr= 1--      0.0001                 0.0079                 0.0243
 Beta2  Fr= 1--      0.3464                 0.0510                 0.0658
 AlphaG Fr= 1--     -0.0014                -0.0094                 0.0118
 Gamma2 Fr= 1--     -0.4679                -0.5867                 0.4864
 Delta2 Fr= 1--      0.1589                 0.2499                 0.0129
 Raman1 Fr= 1--       9.725                  2.848                  6.215
 ROA1   Fr= 1--     -39.838                -48.330                 47.105
 CID1   Fr= 1--      -4.096                -16.970                  7.579
 Raman2 Fr= 1--       4.156                  0.612                  0.790
 ROA2   Fr= 1--     -12.502                -16.081                 11.570
 CID2   Fr= 1--      -3.008                -26.265                 14.645
 Raman3 Fr= 1--       8.313                  1.225                  1.580
 ROA3   Fr= 1--     -39.838                -48.330                 47.105
 CID3   Fr= 1--      -4.792                -39.467                 29.813
 RC180  Fr= 1--       0.710                 -0.140                 -0.492
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.10     0.08   0.06  -0.07     0.02   0.11   0.01
     2   6    -0.01  -0.01  -0.20     0.06   0.06  -0.02    -0.05   0.14  -0.00
     3   6     0.01   0.01   0.10    -0.02  -0.04  -0.07    -0.10   0.05   0.02
     4   6    -0.00  -0.02  -0.03     0.01  -0.15   0.08    -0.13  -0.07   0.00
     5   6     0.00  -0.00   0.09    -0.06  -0.12   0.04    -0.12  -0.07   0.03
     6   6     0.03   0.02   0.24     0.06  -0.06   0.02    -0.03   0.01  -0.01
     7   6    -0.01  -0.02  -0.17     0.12  -0.07   0.10    -0.10  -0.04  -0.02
     8   6     0.02   0.03   0.13     0.05   0.14  -0.13    -0.08   0.02   0.04
     9   6    -0.00   0.02   0.01    -0.07   0.17  -0.09    -0.01   0.02   0.01
    10   6    -0.03  -0.01  -0.17    -0.13   0.09  -0.05    -0.11  -0.06   0.04
    11   6    -0.01   0.00   0.01    -0.09   0.01   0.06     0.09   0.05  -0.11
    12   8     0.01   0.01   0.05     0.10   0.11   0.01     0.10  -0.08  -0.01
    13   6    -0.00  -0.00   0.01    -0.05  -0.03   0.01     0.18  -0.09  -0.01
    14   1    -0.03  -0.03  -0.32     0.07   0.07   0.01    -0.02   0.16  -0.03
    15   1     0.02   0.03   0.31    -0.17   0.01  -0.09    -0.26   0.11   0.02
    16   1     0.06   0.04   0.45     0.20  -0.11   0.03     0.09  -0.04  -0.05
    17   1    -0.01  -0.05  -0.34     0.30  -0.12   0.16    -0.05  -0.06  -0.04
    18   1     0.04   0.05   0.26     0.18   0.24  -0.23    -0.10  -0.00   0.06
    19   1    -0.07  -0.02  -0.40    -0.28   0.15  -0.02    -0.19  -0.03   0.02
    20   1    -0.02  -0.00   0.00    -0.21  -0.04   0.04     0.04   0.03  -0.23
    21   6    -0.01  -0.00   0.01    -0.08  -0.05   0.05     0.07   0.07  -0.20
    22   6     0.00  -0.00   0.00    -0.02  -0.06   0.06     0.14  -0.04   0.02
    23   1    -0.01  -0.03  -0.09     0.03  -0.21  -0.00     0.14   0.01  -0.01
    24   1    -0.08  -0.02   0.05    -0.18  -0.01   0.03     0.24  -0.09  -0.02
    25   1     0.05   0.03   0.03    -0.14  -0.01   0.02     0.23  -0.09  -0.01
    26   1    -0.00  -0.01   0.01    -0.10  -0.10   0.09     0.07   0.01  -0.16
    27   1    -0.01  -0.01  -0.00    -0.10  -0.06   0.01     0.05   0.07  -0.26
    28   1    -0.01   0.01   0.01    -0.08  -0.04   0.01     0.07   0.08  -0.23
    29   8     0.00  -0.00   0.00     0.05  -0.00   0.06     0.05   0.07   0.18
    30   8    -0.00  -0.01  -0.01    -0.01  -0.06  -0.06     0.01  -0.08   0.02
    31   1     0.00   0.01  -0.01     0.10   0.07  -0.15    -0.30  -0.10   0.16
                     19                     20                     21
                      A                      A                      A
 Frequencies --    483.1789               535.1604               557.3698
 Red. masses --      2.5469                 6.3494                 3.3755
 Frc consts  --      0.3503                 1.0714                 0.6178
 IR Inten    --     14.5977                 2.4527                 6.3802
 RamAct Fr= 1--      0.0750                19.8011                 6.6973
  Dep-P Fr= 1--      0.7480                 0.3773                 0.1613
  Dep-U Fr= 1--      0.8559                 0.5478                 0.2778
 Alpha2 Fr= 1--      0.0000                 0.1588                 0.1006
 Beta2  Fr= 1--      0.0107                 1.8080                 0.3101
 AlphaG Fr= 1--     -0.0002                 0.1197                -0.0819
 Gamma2 Fr= 1--      0.2011                 0.1474                 0.1617
 Delta2 Fr= 1--      0.0912                 0.2254                 0.1075
 Raman1 Fr= 1--       0.300                 79.205                 26.789
 ROA1   Fr= 1--      22.223                 21.357                 18.968
 CID1   Fr= 1--      74.064                  0.270                  0.708
 Raman2 Fr= 1--       0.128                 21.696                  3.721
 ROA2   Fr= 1--       4.096                  1.734                  3.022
 CID2   Fr= 1--      31.901                  0.080                  0.812
 Raman3 Fr= 1--       0.257                 43.391                  7.442
 ROA3   Fr= 1--      22.223                 21.357                 18.968
 CID3   Fr= 1--      86.538                  0.492                  2.549
 RC180  Fr= 1--       0.712                  0.096                 -0.444
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.07    -0.06   0.12  -0.04     0.08  -0.04   0.11
     2   6     0.00   0.00   0.05    -0.27   0.21   0.01    -0.04  -0.04  -0.01
     3   6    -0.01  -0.01  -0.12     0.07   0.17  -0.03     0.09  -0.06   0.01
     4   6     0.02   0.02   0.19     0.13  -0.05   0.02     0.07   0.00  -0.10
     5   6     0.02   0.02   0.20    -0.12   0.02  -0.01    -0.03   0.07   0.05
     6   6    -0.01  -0.01  -0.10    -0.23   0.06   0.02    -0.07   0.07  -0.01
     7   6    -0.01  -0.01  -0.10     0.25  -0.10   0.00     0.04  -0.04  -0.04
     8   6     0.01   0.00   0.05     0.27  -0.16  -0.04     0.05  -0.08   0.07
     9   6     0.00   0.00   0.04     0.04  -0.07   0.03    -0.08  -0.05  -0.11
    10   6    -0.01  -0.01  -0.11    -0.07  -0.11  -0.00    -0.04  -0.00   0.06
    11   6    -0.00   0.00   0.00     0.02   0.01   0.05    -0.10   0.01  -0.08
    12   8    -0.00  -0.00  -0.01    -0.04  -0.06   0.02     0.04   0.10  -0.04
    13   6    -0.00   0.00  -0.00     0.05   0.02  -0.01    -0.06   0.04  -0.00
    14   1    -0.01  -0.01  -0.12    -0.25   0.22   0.05    -0.16  -0.15  -0.18
    15   1    -0.04  -0.05  -0.49    -0.06   0.22   0.00     0.14  -0.09  -0.08
    16   1    -0.05  -0.04  -0.46    -0.16   0.05   0.06    -0.14   0.08  -0.15
    17   1    -0.04  -0.04  -0.42     0.24  -0.10  -0.01    -0.03   0.00   0.09
    18   1    -0.00  -0.01  -0.05     0.33  -0.11  -0.10     0.11  -0.03   0.29
    19   1    -0.04  -0.04  -0.45     0.00  -0.14  -0.02     0.06  -0.03   0.15
    20   1     0.00   0.00   0.00     0.06   0.03   0.08    -0.10   0.02  -0.15
    21   6    -0.00  -0.00   0.00    -0.01  -0.03   0.05     0.02   0.03  -0.10
    22   6     0.00   0.00  -0.00    -0.01   0.01   0.01    -0.07  -0.06   0.04
    23   1    -0.00   0.00   0.00    -0.01   0.15  -0.01     0.01  -0.11   0.01
    24   1     0.00  -0.00   0.00     0.13   0.01  -0.02    -0.15   0.04   0.02
    25   1    -0.01   0.01   0.00     0.14   0.01  -0.01    -0.17   0.06   0.01
    26   1     0.01  -0.01   0.00    -0.05  -0.06   0.08     0.06   0.03  -0.11
    27   1     0.00   0.00  -0.00    -0.01  -0.03   0.04     0.09   0.06  -0.16
    28   1    -0.00   0.00   0.02    -0.02  -0.04   0.01     0.03  -0.05  -0.01
    29   8    -0.00  -0.00  -0.00    -0.01  -0.06  -0.04     0.04   0.10   0.09
    30   8    -0.00   0.00  -0.00    -0.02   0.01  -0.04     0.01  -0.07   0.05
    31   1    -0.02   0.00   0.01    -0.03   0.10  -0.06     0.56  -0.09  -0.17
                     22                     23                     24
                      A                      A                      A
 Frequencies --    577.8960               596.4236               617.4476
 Red. masses --      2.8086                 1.8152                 3.4111
 Frc consts  --      0.5526                 0.3804                 0.7662
 IR Inten    --     42.0122                60.6067                24.2823
 RamAct Fr= 1--      4.2588                 2.7429                 1.7568
  Dep-P Fr= 1--      0.3613                 0.7463                 0.7112
  Dep-U Fr= 1--      0.5308                 0.8547                 0.8312
 Alpha2 Fr= 1--      0.0360                 0.0002                 0.0012
 Beta2  Fr= 1--      0.3768                 0.3907                 0.2434
 AlphaG Fr= 1--      0.1030                -0.0022                -0.0200
 Gamma2 Fr= 1--      0.8991                -0.0076                 0.3720
 Delta2 Fr= 1--     -0.5686                -0.7424                 0.5864
 Raman1 Fr= 1--      17.035                 10.971                  7.027
 ROA1   Fr= 1--      68.121                -24.486                 54.473
 CID1   Fr= 1--       3.999                 -2.232                  7.752
 Raman2 Fr= 1--       4.522                  4.689                  2.920
 ROA2   Fr= 1--      26.127                  5.756                  4.236
 CID2   Fr= 1--       5.778                  1.228                  1.451
 Raman3 Fr= 1--       9.043                  9.378                  5.841
 ROA3   Fr= 1--      68.121                -24.486                 54.473
 CID3   Fr= 1--       7.533                 -2.611                  9.326
 RC180  Fr= 1--       0.062                  0.709                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.08   0.13    -0.03  -0.01  -0.11    -0.05   0.02  -0.11
     2   6     0.01   0.05  -0.03     0.03  -0.00   0.03    -0.01   0.02   0.04
     3   6    -0.04   0.11  -0.01     0.00   0.02   0.01     0.07   0.10   0.00
     4   6    -0.02  -0.03  -0.08     0.01   0.02   0.07     0.10  -0.02   0.05
     5   6     0.08  -0.06   0.06     0.02  -0.01  -0.05     0.07  -0.02  -0.04
     6   6     0.07  -0.10   0.01     0.03  -0.02  -0.03     0.01  -0.08  -0.03
     7   6     0.01  -0.01  -0.03    -0.01  -0.00   0.01     0.01  -0.12  -0.00
     8   6     0.01   0.07   0.03    -0.01  -0.02  -0.00    -0.02  -0.01   0.02
     9   6     0.03   0.03  -0.14     0.01   0.00   0.10    -0.07   0.04   0.06
    10   6     0.07   0.04   0.02     0.02  -0.01  -0.00     0.04   0.11   0.00
    11   6     0.01  -0.03  -0.00    -0.03   0.09   0.00    -0.11  -0.10  -0.09
    12   8    -0.10  -0.13  -0.00    -0.03  -0.03   0.03    -0.06  -0.05   0.03
    13   6     0.04  -0.02  -0.01    -0.00   0.00   0.00    -0.02   0.02   0.00
    14   1     0.14   0.15  -0.30     0.08   0.04   0.25     0.10   0.11   0.26
    15   1    -0.10   0.12  -0.13     0.03   0.03   0.12     0.10   0.11   0.13
    16   1     0.10  -0.13  -0.16     0.04  -0.00   0.12     0.04  -0.07   0.10
    17   1     0.10  -0.02   0.15    -0.05  -0.01  -0.17    -0.01  -0.13  -0.18
    18   1     0.05   0.11   0.27    -0.03  -0.05  -0.19     0.07   0.06  -0.15
    19   1     0.02   0.08   0.14     0.03  -0.02  -0.11     0.05   0.09  -0.09
    20   1     0.02  -0.03   0.04    -0.01   0.10  -0.05    -0.18  -0.12  -0.12
    21   6    -0.02  -0.01   0.02     0.03   0.04  -0.08    -0.01  -0.01  -0.00
    22   6    -0.07  -0.01   0.03    -0.04  -0.02   0.06    -0.02  -0.03  -0.11
    23   1    -0.06   0.18  -0.02    -0.02   0.05   0.00    -0.06   0.10   0.00
    24   1     0.18  -0.05  -0.02     0.02   0.01  -0.01     0.03   0.02  -0.01
    25   1     0.16  -0.02  -0.01     0.04  -0.01  -0.00     0.05  -0.00  -0.01
    26   1    -0.07   0.00   0.03     0.04  -0.06  -0.03     0.13   0.14  -0.15
    27   1    -0.06  -0.03   0.08     0.10   0.08  -0.24     0.03   0.00   0.09
    28   1    -0.03   0.03  -0.04     0.04  -0.06  -0.05     0.01  -0.00   0.20
    29   8     0.00   0.01  -0.01     0.02  -0.03   0.03    -0.02   0.17   0.02
    30   8    -0.02  -0.00   0.02    -0.06  -0.03  -0.02     0.08  -0.06   0.08
    31   1     0.54   0.06  -0.24     0.66   0.21  -0.40    -0.16  -0.48   0.33
                     25                     26                     27
                      A                      A                      A
 Frequencies --    636.6200               684.9949               691.9348
 Red. masses --      2.5507                 3.3633                 4.8409
 Frc consts  --      0.6091                 0.9298                 1.3656
 IR Inten    --     14.2091                21.1621                 5.0547
 RamAct Fr= 1--      2.2183                 0.3353                 2.2830
  Dep-P Fr= 1--      0.7470                 0.6363                 0.0907
  Dep-U Fr= 1--      0.8552                 0.7777                 0.1663
 Alpha2 Fr= 1--      0.0001                 0.0007                 0.0409
 Beta2  Fr= 1--      0.3162                 0.0435                 0.0633
 AlphaG Fr= 1--      0.0057                 0.0310                 0.0477
 Gamma2 Fr= 1--     -0.1664                -0.4074                 0.0513
 Delta2 Fr= 1--     -0.4296                 0.0675                -0.0766
 Raman1 Fr= 1--       8.873                  1.341                  9.132
 ROA1   Fr= 1--     -29.722                -36.949                  2.469
 CID1   Fr= 1--      -3.350                -27.547                  0.270
 Raman2 Fr= 1--       3.794                  0.522                  0.759
 ROA2   Fr= 1--      -0.558                -10.317                  1.843
 CID2   Fr= 1--      -0.147                -19.781                  2.426
 Raman3 Fr= 1--       7.588                  1.043                  1.519
 ROA3   Fr= 1--     -29.722                -36.949                  2.469
 CID3   Fr= 1--      -3.917                -35.420                  1.626
 RC180  Fr= 1--       0.710                  0.555                 -0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.07     0.03   0.03   0.22    -0.03  -0.01   0.09
     2   6    -0.02   0.02   0.03    -0.05  -0.02  -0.10     0.17   0.03  -0.06
     3   6    -0.07  -0.07   0.03     0.02   0.01  -0.07    -0.11  -0.08  -0.01
     4   6    -0.07  -0.01   0.04     0.02  -0.02  -0.05    -0.07   0.04  -0.01
     5   6    -0.06  -0.01  -0.00     0.00  -0.01  -0.10    -0.06   0.01  -0.04
     6   6    -0.04   0.04  -0.03    -0.03  -0.03   0.14     0.17   0.17   0.01
     7   6     0.03   0.09  -0.03    -0.02  -0.04   0.12     0.13   0.20   0.01
     8   6     0.04   0.06   0.02    -0.05  -0.01  -0.09     0.16  -0.01  -0.05
     9   6     0.08   0.00   0.00     0.02   0.03   0.23     0.01  -0.03   0.09
    10   6    -0.02  -0.05   0.02     0.01   0.03  -0.08    -0.09  -0.15   0.01
    11   6     0.11  -0.15  -0.05     0.03  -0.03  -0.01    -0.14   0.05  -0.01
    12   8     0.05   0.04   0.00     0.02   0.02  -0.03    -0.11  -0.11   0.01
    13   6     0.03  -0.02   0.00     0.00   0.00  -0.00    -0.02  -0.00   0.00
    14   1    -0.06  -0.01   0.19    -0.09  -0.05  -0.46     0.16   0.02  -0.18
    15   1    -0.11  -0.04   0.11    -0.00  -0.01  -0.34    -0.11  -0.09  -0.10
    16   1    -0.02   0.04   0.04    -0.04  -0.02   0.11     0.23   0.15   0.02
    17   1     0.09   0.06  -0.14    -0.03  -0.04   0.07     0.15   0.18  -0.04
    18   1    -0.02   0.01  -0.03    -0.07  -0.04  -0.44     0.09  -0.07  -0.20
    19   1    -0.09  -0.02   0.01    -0.01   0.02  -0.23    -0.08  -0.17  -0.08
    20   1     0.10  -0.16   0.05    -0.01  -0.05  -0.02    -0.16   0.05  -0.08
    21   6    -0.01  -0.04   0.05     0.01   0.01  -0.01    -0.02  -0.00   0.01
    22   6    -0.02   0.01  -0.10     0.07   0.01  -0.08    -0.08  -0.04  -0.03
    23   1     0.06  -0.08   0.01     0.02  -0.04  -0.01    -0.10   0.17  -0.01
    24   1    -0.02  -0.01   0.00    -0.01  -0.01   0.01     0.11  -0.03  -0.01
    25   1    -0.01  -0.02   0.00    -0.04   0.02   0.00     0.10  -0.02  -0.00
    26   1    -0.04   0.14  -0.04     0.06   0.07  -0.06     0.09  -0.05  -0.01
    27   1    -0.14  -0.10   0.34     0.01   0.00   0.05     0.11   0.06  -0.15
    28   1    -0.03   0.15  -0.02     0.02   0.04   0.04     0.01  -0.17   0.19
    29   8    -0.06   0.08  -0.03    -0.05   0.03  -0.00     0.01   0.09   0.00
    30   8    -0.02  -0.01   0.08    -0.04  -0.02   0.04     0.05  -0.08   0.00
    31   1     0.68  -0.17  -0.16     0.36  -0.07  -0.11    -0.18  -0.29   0.17
                     28                     29                     30
                      A                      A                      A
 Frequencies --    757.7788               778.6814               799.9287
 Red. masses --      5.5307                 2.5411                 3.3995
 Frc consts  --      1.8712                 0.9078                 1.2816
 IR Inten    --     23.8688                 2.3281                13.0185
 RamAct Fr= 1--     47.7055                10.4596                42.3657
  Dep-P Fr= 1--      0.0827                 0.1017                 0.1053
  Dep-U Fr= 1--      0.1528                 0.1846                 0.1906
 Alpha2 Fr= 1--      0.8711                 0.1824                 0.7321
 Beta2  Fr= 1--      1.2150                 0.3219                 1.3459
 AlphaG Fr= 1--      0.2021                 0.1677                -0.4661
 Gamma2 Fr= 1--      0.3223                 1.3301                -2.8947
 Delta2 Fr= 1--      0.1584                -0.2919                 0.1812
 Raman1 Fr= 1--     190.822                 41.838                169.463
 ROA1   Fr= 1--      36.006                118.350               -272.091
 CID1   Fr= 1--       0.189                  2.829                 -1.606
 Raman2 Fr= 1--      14.580                  3.862                 16.151
 ROA2   Fr= 1--       6.467                 34.257                -70.921
 CID2   Fr= 1--       0.444                  8.870                 -4.391
 Raman3 Fr= 1--      29.160                  7.724                 32.301
 ROA3   Fr= 1--      36.006                118.350               -272.091
 CID3   Fr= 1--       1.235                 15.321                 -8.424
 RC180  Fr= 1--      -0.694                 -0.631                 -0.619
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.03     0.01   0.01   0.11     0.00  -0.00   0.01
     2   6     0.12   0.07   0.01    -0.01   0.00  -0.12     0.03  -0.04  -0.05
     3   6    -0.00  -0.11   0.02    -0.02  -0.03  -0.01     0.09   0.09   0.00
     4   6     0.03  -0.10  -0.01     0.01  -0.01   0.19     0.05   0.09   0.09
     5   6    -0.04   0.11   0.03    -0.02  -0.00  -0.19    -0.04  -0.06  -0.03
     6   6     0.11   0.32  -0.05     0.01   0.05   0.01     0.02  -0.11   0.00
     7   6    -0.01  -0.26   0.01    -0.01  -0.05  -0.03     0.00   0.11  -0.09
     8   6    -0.03  -0.06  -0.01     0.00   0.01   0.10     0.01  -0.02  -0.02
     9   6    -0.09   0.04  -0.01    -0.00  -0.00  -0.09    -0.06  -0.01  -0.04
    10   6    -0.05   0.11  -0.02     0.02   0.03   0.04    -0.11  -0.08   0.01
    11   6     0.06  -0.06  -0.02     0.02  -0.03  -0.01    -0.07   0.03  -0.01
    12   8    -0.12  -0.11   0.03    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
    13   6    -0.07   0.04   0.00    -0.00   0.00  -0.00    -0.02   0.01   0.00
    14   1    -0.00  -0.02  -0.01     0.00   0.02   0.26     0.13   0.04   0.19
    15   1    -0.02  -0.10   0.07    -0.09  -0.07  -0.49     0.17   0.01  -0.38
    16   1     0.13   0.31  -0.14     0.05   0.10   0.48     0.09  -0.12   0.19
    17   1     0.01  -0.25   0.16    -0.02  -0.09  -0.38    -0.07   0.19   0.25
    18   1     0.15   0.09   0.11     0.01   0.02  -0.07     0.01  -0.00   0.41
    19   1    -0.02   0.11   0.02     0.06   0.05   0.33    -0.13  -0.05   0.25
    20   1    -0.03  -0.11   0.02     0.04  -0.02   0.03    -0.16  -0.01  -0.09
    21   6     0.01  -0.02   0.00     0.01   0.00  -0.02    -0.03  -0.03   0.05
    22   6     0.22   0.05  -0.05    -0.07  -0.01   0.05     0.27   0.04  -0.11
    23   1    -0.15   0.22  -0.01    -0.01   0.02   0.02    -0.01   0.01   0.01
    24   1     0.05   0.02  -0.01     0.01  -0.00  -0.00    -0.01   0.01   0.00
    25   1     0.06   0.02  -0.00    -0.00   0.00  -0.00    -0.02   0.01   0.00
    26   1     0.01   0.13  -0.08    -0.04   0.02  -0.01     0.08   0.02  -0.03
    27   1    -0.07  -0.06   0.21    -0.04  -0.02   0.04     0.05   0.00   0.03
    28   1    -0.00   0.13  -0.03    -0.00   0.06  -0.09    -0.01  -0.11   0.21
    29   8    -0.04  -0.07   0.04     0.03  -0.01  -0.01    -0.06  -0.03   0.05
    30   8    -0.07   0.07   0.03     0.02   0.03  -0.01    -0.07   0.01   0.03
    31   1     0.23   0.23  -0.15    -0.09   0.04   0.03     0.17   0.10  -0.10
                     31                     32                     33
                      A                      A                      A
 Frequencies --    814.9915               818.0111               842.1863
 Red. masses --      1.9202                 1.6897                 2.3354
 Frc consts  --      0.7514                 0.6662                 0.9760
 IR Inten    --      5.0373                16.9108                 0.6158
 RamAct Fr= 1--      1.4274                 0.3225                 2.7427
  Dep-P Fr= 1--      0.7194                 0.3485                 0.2086
  Dep-U Fr= 1--      0.8368                 0.5168                 0.3452
 Alpha2 Fr= 1--      0.0008                 0.0028                 0.0364
 Beta2  Fr= 1--      0.1991                 0.0278                 0.1578
 AlphaG Fr= 1--     -0.0250                -0.0112                 0.0115
 Gamma2 Fr= 1--      1.5191                 0.7250                 2.0481
 Delta2 Fr= 1--     -0.0675                -0.0701                 0.1061
 Raman1 Fr= 1--       5.710                  1.290                 10.971
 ROA1   Fr= 1--     143.671                 67.361                200.011
 CID1   Fr= 1--      25.162                 52.221                 18.231
 Raman2 Fr= 1--       2.389                  0.333                  1.894
 ROA2   Fr= 1--      36.998                 17.962                 48.305
 CID2   Fr= 1--      15.487                 53.884                 25.508
 Raman3 Fr= 1--       4.778                  0.667                  3.787
 ROA3   Fr= 1--     143.671                 67.361                200.011
 CID3   Fr= 1--      30.070                101.039                 52.810
 RC180  Fr= 1--       0.674                  0.034                 -0.310
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.01     0.01   0.01   0.09     0.01  -0.01  -0.06
     2   6    -0.03   0.00  -0.03    -0.01  -0.01  -0.10     0.02   0.01   0.03
     3   6    -0.05  -0.03   0.04     0.01   0.01  -0.00     0.05   0.02   0.04
     4   6    -0.02  -0.02   0.05    -0.00  -0.00  -0.09     0.03   0.01   0.05
     5   6     0.03   0.03   0.01     0.01   0.01   0.12    -0.03  -0.02  -0.04
     6   6    -0.02   0.03  -0.02    -0.01  -0.02  -0.10     0.01  -0.00   0.03
     7   6    -0.02  -0.06  -0.07     0.01   0.01   0.03     0.00   0.02  -0.08
     8   6    -0.01  -0.02  -0.08    -0.00   0.00  -0.03    -0.01   0.01  -0.08
     9   6     0.04   0.01   0.05    -0.00   0.00   0.02    -0.00   0.01   0.12
    10   6     0.07   0.03  -0.03    -0.01  -0.00   0.03    -0.05  -0.02   0.01
    11   6     0.03   0.09   0.07    -0.01  -0.04  -0.03     0.01  -0.13  -0.04
    12   8     0.01   0.01   0.00    -0.00  -0.00  -0.02    -0.01  -0.01   0.02
    13   6     0.02  -0.01   0.00    -0.00   0.00  -0.00    -0.02   0.01   0.00
    14   1    -0.03   0.01   0.23     0.07   0.07   0.64     0.00  -0.01  -0.17
    15   1    -0.14  -0.05  -0.30     0.02   0.01   0.03     0.05  -0.03  -0.36
    16   1    -0.04   0.07   0.15     0.06   0.04   0.52     0.04  -0.04  -0.13
    17   1     0.07  -0.02   0.53     0.01   0.02   0.08     0.06   0.09   0.54
    18   1     0.05   0.05   0.48    -0.00   0.00  -0.03     0.03   0.06   0.36
    19   1     0.11   0.02  -0.04    -0.08  -0.04  -0.45    -0.11  -0.01  -0.12
    20   1     0.08   0.12   0.01    -0.02  -0.05  -0.00    -0.02  -0.15   0.06
    21   6    -0.00   0.02   0.04     0.00  -0.00  -0.02     0.03   0.02  -0.11
    22   6    -0.03   0.00  -0.06    -0.01  -0.00   0.03    -0.12  -0.03   0.10
    23   1     0.02  -0.02   0.01    -0.00   0.01   0.03    -0.02   0.03  -0.01
    24   1     0.01  -0.01  -0.00     0.00   0.01  -0.01    -0.01   0.01   0.00
    25   1     0.01  -0.01  -0.00    -0.01  -0.00  -0.01    -0.00   0.01   0.00
    26   1    -0.05  -0.18   0.18     0.02   0.07  -0.07     0.05   0.23  -0.24
    27   1     0.03   0.04  -0.17    -0.01  -0.01   0.06    -0.05  -0.03   0.18
    28   1     0.00  -0.08  -0.04    -0.00   0.04   0.01     0.02   0.18  -0.08
    29   8    -0.03   0.06  -0.03     0.01  -0.02   0.01     0.05  -0.03   0.00
    30   8     0.01  -0.10  -0.01     0.00   0.04   0.00     0.02   0.08  -0.00
    31   1     0.05  -0.23   0.02    -0.03   0.08   0.00    -0.09   0.12   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --    851.6811               896.3611               917.0133
 Red. masses --      3.1362                 1.7087                 1.5513
 Frc consts  --      1.3403                 0.8089                 0.7686
 IR Inten    --      3.4490                33.1949                11.2392
 RamAct Fr= 1--     24.6089                 2.1888                 1.9594
  Dep-P Fr= 1--      0.0886                 0.7353                 0.5622
  Dep-U Fr= 1--      0.1628                 0.8474                 0.7198
 Alpha2 Fr= 1--      0.4430                 0.0006                 0.0070
 Beta2  Fr= 1--      0.6677                 0.3091                 0.2351
 AlphaG Fr= 1--      0.6115                -0.0011                 0.0843
 Gamma2 Fr= 1--     -2.4837                -0.1153                 0.0173
 Delta2 Fr= 1--     -0.0537                -0.1417                 0.1176
 Raman1 Fr= 1--      98.435                  8.755                  7.838
 ROA1   Fr= 1--    -240.154                -15.603                  5.424
 CID1   Fr= 1--      -2.440                 -1.782                  0.692
 Raman2 Fr= 1--       8.012                  3.710                  2.821
 ROA2   Fr= 1--     -59.179                 -1.634                 -0.526
 CID2   Fr= 1--      -7.386                 -0.440                 -0.186
 Raman3 Fr= 1--      16.024                  7.420                  5.642
 ROA3   Fr= 1--    -240.154                -15.603                  5.424
 CID3   Fr= 1--     -14.987                 -2.103                  0.962
 RC180  Fr= 1--      -0.674                  0.695                  0.440
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.01     0.01   0.01   0.09    -0.00   0.00   0.01
     2   6     0.04   0.01  -0.01    -0.00  -0.00  -0.02     0.00  -0.01  -0.06
     3   6     0.17   0.06  -0.04    -0.02  -0.02  -0.18    -0.01   0.00   0.01
     4   6     0.08   0.03  -0.02     0.01   0.01   0.11    -0.01   0.00  -0.03
     5   6    -0.08  -0.04   0.03    -0.00  -0.00  -0.03     0.01   0.01   0.08
     6   6     0.03   0.01  -0.01     0.00  -0.00   0.02     0.00  -0.01   0.01
     7   6    -0.06  -0.02   0.03    -0.00  -0.00  -0.05     0.01   0.01   0.01
     8   6    -0.08   0.03   0.01    -0.00  -0.01  -0.05     0.01  -0.01   0.00
     9   6    -0.01   0.03  -0.02    -0.00   0.00   0.02    -0.01   0.01   0.07
    10   6    -0.16  -0.07   0.02     0.00   0.00   0.00    -0.02  -0.00  -0.16
    11   6     0.17   0.05   0.09    -0.00  -0.01   0.00    -0.00  -0.02   0.02
    12   8    -0.04  -0.06   0.01    -0.00  -0.00  -0.02     0.00   0.00  -0.01
    13   6    -0.07   0.06   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.04   0.00   0.04     0.01   0.00   0.03     0.06   0.04   0.41
    15   1     0.35   0.01   0.06     0.08   0.09   0.87    -0.01   0.01   0.02
    16   1     0.15  -0.03   0.01    -0.00  -0.00  -0.01    -0.02  -0.03  -0.22
    17   1    -0.16   0.01  -0.09     0.02   0.02   0.12    -0.01   0.01  -0.02
    18   1    -0.11   0.00  -0.05     0.04   0.04   0.36     0.01  -0.02  -0.06
    19   1    -0.34  -0.01   0.04     0.01   0.00   0.03     0.10   0.08   0.83
    20   1     0.18   0.06   0.20    -0.01  -0.02   0.01    -0.03  -0.04   0.06
    21   6     0.07   0.02   0.02     0.00   0.00  -0.02     0.02   0.01  -0.04
    22   6    -0.09   0.01  -0.03    -0.01  -0.00   0.01    -0.02  -0.01   0.01
    23   1    -0.09   0.10   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    24   1    -0.03   0.04  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.03   0.04  -0.00    -0.00   0.00  -0.00     0.00  -0.01  -0.00
    26   1    -0.21  -0.17   0.24     0.01   0.03  -0.03     0.01   0.07  -0.07
    27   1    -0.14  -0.07   0.00     0.00   0.00   0.01    -0.02  -0.00   0.04
    28   1     0.01   0.17  -0.39     0.00   0.02   0.00     0.01   0.05  -0.04
    29   8    -0.02   0.05  -0.06     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   8     0.03  -0.10  -0.02     0.00   0.01  -0.00     0.00   0.01  -0.00
    31   1     0.03  -0.24   0.03    -0.00   0.00   0.00    -0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    936.9969               949.5309               961.9769
 Red. masses --      3.7074                 1.3762                 1.3341
 Frc consts  --      1.9178                 0.7310                 0.7274
 IR Inten    --     11.9293                 2.6233                 0.8659
 RamAct Fr= 1--     10.4264                 1.2005                 1.5484
  Dep-P Fr= 1--      0.3611                 0.5230                 0.5774
  Dep-U Fr= 1--      0.5306                 0.6868                 0.7321
 Alpha2 Fr= 1--      0.0883                 0.0053                 0.0050
 Beta2  Fr= 1--      0.9221                 0.1374                 0.1889
 AlphaG Fr= 1--      0.2207                 0.0140                 0.0901
 Gamma2 Fr= 1--      5.2052                -1.0497                 1.0210
 Delta2 Fr= 1--     -2.3024                 0.6589                 0.2929
 Raman1 Fr= 1--      41.706                  4.802                  6.193
 ROA1   Fr= 1--     426.028                -79.681                107.389
 CID1   Fr= 1--      10.215                -16.594                 17.339
 Raman2 Fr= 1--      11.065                  1.649                  2.267
 ROA2   Fr= 1--     143.345                -30.463                 22.162
 CID2   Fr= 1--      12.955                -18.474                  9.775
 Raman3 Fr= 1--      22.130                  3.298                  4.534
 ROA3   Fr= 1--     426.028                -79.681                107.389
 CID3   Fr= 1--      19.251                -24.161                 23.684
 RC180  Fr= 1--       0.061                  0.374                  0.464
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.03  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.01
     2   6    -0.12   0.19  -0.03     0.00   0.03   0.09    -0.01   0.01  -0.01
     3   6     0.11  -0.12  -0.00     0.01  -0.01  -0.01     0.00  -0.01   0.03
     4   6     0.05  -0.07   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.02
     5   6     0.03  -0.06   0.01     0.01  -0.00   0.05     0.00  -0.00  -0.01
     6   6    -0.03   0.04   0.02    -0.01  -0.01  -0.12     0.00  -0.00   0.02
     7   6    -0.04   0.02  -0.01     0.00   0.01   0.01     0.01   0.02   0.11
     8   6    -0.13   0.20  -0.00    -0.01   0.01  -0.02    -0.01  -0.01  -0.12
     9   6     0.12  -0.03   0.01     0.01  -0.00   0.03     0.00  -0.00   0.01
    10   6     0.09  -0.13  -0.02     0.00  -0.01  -0.07     0.01   0.00   0.01
    11   6    -0.06   0.01  -0.06    -0.01  -0.01   0.01    -0.00  -0.01   0.01
    12   8    -0.01  -0.07   0.01    -0.00  -0.01   0.00     0.00  -0.00   0.00
    13   6    -0.08   0.08   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    14   1    -0.18   0.15   0.15    -0.06  -0.04  -0.54    -0.00   0.02   0.05
    15   1     0.20  -0.16   0.02     0.01  -0.01   0.03    -0.00  -0.02  -0.10
    16   1     0.15  -0.04  -0.17     0.09   0.06   0.73     0.00  -0.02  -0.10
    17   1     0.18  -0.05   0.07     0.00  -0.00  -0.06    -0.07  -0.07  -0.67
    18   1    -0.23   0.13  -0.05    -0.00   0.02   0.10     0.07   0.08   0.68
    19   1     0.14  -0.14   0.14     0.05   0.02   0.32     0.01  -0.01  -0.05
    20   1     0.03   0.06  -0.24    -0.01  -0.01   0.01    -0.01  -0.01   0.00
    21   6    -0.08  -0.01   0.03     0.00   0.01  -0.01    -0.00   0.00  -0.01
    22   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    23   1    -0.10   0.12   0.00    -0.01   0.01  -0.01    -0.00   0.01   0.00
    24   1    -0.04   0.06   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    25   1    -0.04   0.06  -0.01    -0.01   0.01   0.00    -0.00   0.00  -0.00
    26   1     0.14  -0.05  -0.04     0.01   0.02  -0.03     0.01   0.02  -0.02
    27   1     0.17   0.10  -0.17     0.01   0.01  -0.00     0.01   0.01   0.00
    28   1    -0.02  -0.29   0.35     0.00  -0.00   0.01     0.00   0.00   0.01
    29   8     0.01  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   8    -0.00   0.02   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    31   1    -0.01   0.05   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    980.5783              1013.3083              1064.4489
 Red. masses --      3.5449                 2.0895                 1.9344
 Frc consts  --      2.0083                 1.2641                 1.2913
 IR Inten    --      0.9238                41.9814                55.0189
 RamAct Fr= 1--     19.5846                13.3674                 9.6819
  Dep-P Fr= 1--      0.1385                 0.3659                 0.4354
  Dep-U Fr= 1--      0.2433                 0.5358                 0.6066
 Alpha2 Fr= 1--      0.3117                 0.1114                 0.0629
 Beta2  Fr= 1--      0.7941                 1.1936                 0.9789
 AlphaG Fr= 1--     -0.3613                 0.3466                 0.2014
 Gamma2 Fr= 1--     -1.0017                 1.4801                -0.4375
 Delta2 Fr= 1--     -1.0397                 2.7283                -0.9137
 Raman1 Fr= 1--      78.338                 53.470                 38.728
 ROA1   Fr= 1--    -129.435                229.393                -71.240
 CID1   Fr= 1--      -1.652                  4.290                 -1.839
 Raman2 Fr= 1--       9.529                 14.324                 11.747
 ROA2   Fr= 1--     -15.724                 13.695                 -3.190
 CID2   Fr= 1--      -1.650                  0.956                 -0.272
 Raman3 Fr= 1--      19.058                 28.647                 23.494
 ROA3   Fr= 1--    -129.435                229.393                -71.240
 CID3   Fr= 1--      -6.792                  8.007                 -3.032
 RC180  Fr= 1--      -0.513                  0.072                  0.213
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01  -0.01    -0.00  -0.00   0.00     0.01   0.00  -0.00
     2   6    -0.06   0.23  -0.02    -0.02  -0.00   0.00     0.01  -0.01  -0.00
     3   6    -0.01  -0.22   0.02     0.00   0.00   0.00     0.00   0.01  -0.00
     4   6     0.00   0.03  -0.00     0.00  -0.02   0.00    -0.01   0.01   0.00
     5   6     0.01  -0.03  -0.00     0.03   0.00  -0.01    -0.03  -0.01   0.00
     6   6     0.00  -0.12   0.02    -0.01   0.02   0.00     0.00   0.00  -0.00
     7   6     0.00   0.13  -0.02     0.01  -0.01  -0.00    -0.03  -0.01   0.01
     8   6     0.05  -0.17   0.03    -0.03   0.08   0.01     0.02  -0.07   0.00
     9   6    -0.09  -0.00  -0.01    -0.01  -0.02  -0.04     0.07   0.04  -0.01
    10   6     0.03   0.18  -0.00     0.04  -0.07   0.02    -0.02   0.06  -0.01
    11   6    -0.00  -0.00   0.06    -0.09   0.02   0.15     0.07   0.08  -0.08
    12   8    -0.00  -0.04   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.00
    13   6    -0.05   0.03   0.00     0.00  -0.00  -0.00    -0.01   0.01  -0.00
    14   1     0.07   0.34  -0.03    -0.04  -0.02   0.01    -0.01  -0.03   0.00
    15   1     0.06  -0.25   0.02    -0.02   0.01  -0.00    -0.01   0.01   0.00
    16   1     0.34  -0.26  -0.03    -0.06   0.04  -0.01     0.02  -0.01   0.01
    17   1    -0.28   0.25   0.05     0.16  -0.06  -0.01    -0.21   0.05   0.01
    18   1    -0.06  -0.26  -0.04    -0.01   0.09  -0.07    -0.01  -0.10   0.03
    19   1     0.03   0.17  -0.12     0.15  -0.13  -0.10    -0.24   0.16   0.06
    20   1    -0.04  -0.02   0.19    -0.14  -0.03   0.61     0.28   0.16   0.09
    21   6     0.05   0.02  -0.03     0.03  -0.00  -0.13    -0.11  -0.10  -0.00
    22   6     0.02   0.02  -0.02     0.05   0.09  -0.00    -0.04   0.07   0.06
    23   1    -0.07   0.08  -0.00     0.01  -0.01   0.00    -0.01   0.01   0.00
    24   1    -0.00   0.03  -0.00    -0.00  -0.00   0.00    -0.01   0.01   0.00
    25   1    -0.00   0.03  -0.00    -0.00  -0.00   0.00    -0.01   0.01  -0.00
    26   1    -0.07   0.04   0.00     0.05   0.37  -0.35     0.22   0.27  -0.34
    27   1    -0.08  -0.04   0.06    -0.04  -0.04   0.28     0.13  -0.01   0.27
    28   1     0.02   0.17  -0.20     0.02   0.25  -0.02    -0.05  -0.15   0.51
    29   8    -0.01   0.00  -0.01    -0.03   0.01  -0.02     0.01   0.01  -0.01
    30   8    -0.00  -0.02  -0.00     0.01  -0.11  -0.01     0.02  -0.09  -0.00
    31   1     0.00  -0.02  -0.00    -0.05   0.06  -0.04    -0.06   0.19  -0.06
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1071.1747              1106.1044              1159.9581
 Red. masses --      3.5758                 2.1296                 1.8478
 Frc consts  --      2.4174                 1.5351                 1.4648
 IR Inten    --     50.5665                10.3560                33.7692
 RamAct Fr= 1--      5.2195                 6.2576                22.3753
  Dep-P Fr= 1--      0.1582                 0.3500                 0.2820
  Dep-U Fr= 1--      0.2731                 0.5185                 0.4399
 Alpha2 Fr= 1--      0.0790                 0.0549                 0.2420
 Beta2  Fr= 1--      0.2376                 0.5408                 1.6405
 AlphaG Fr= 1--      0.0532                -0.1972                 0.0450
 Gamma2 Fr= 1--      0.5953                -2.1127                 0.4965
 Delta2 Fr= 1--     -0.4834                 2.6841                -1.4838
 Raman1 Fr= 1--      20.878                 25.030                 89.501
 ROA1   Fr= 1--      41.683               -116.929                  0.179
 CID1   Fr= 1--       1.997                 -4.671                  0.002
 Raman2 Fr= 1--       2.851                  6.490                 19.686
 ROA2   Fr= 1--      18.155                -72.177                 23.786
 CID2   Fr= 1--       6.367                -11.122                  1.208
 Raman3 Fr= 1--       5.703                 12.979                 39.371
 ROA3   Fr= 1--      41.683               -116.929                  0.179
 CID3   Fr= 1--       7.309                 -9.009                  0.005
 RC180  Fr= 1--      -0.454                  0.037                 -0.120
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.16  -0.06   0.02     0.00   0.00  -0.00    -0.00   0.01  -0.00
     2   6    -0.03   0.10  -0.01    -0.02   0.01   0.00     0.05   0.02  -0.01
     3   6     0.04  -0.08   0.00    -0.00  -0.01   0.00    -0.02  -0.05   0.01
     4   6     0.06   0.04  -0.01    -0.02   0.02   0.00     0.03   0.01  -0.00
     5   6     0.01  -0.01   0.00     0.02   0.01  -0.00     0.01   0.09  -0.01
     6   6     0.03   0.02  -0.01     0.01  -0.00  -0.00    -0.04  -0.08   0.01
     7   6    -0.01  -0.05   0.01    -0.02  -0.02   0.00     0.01  -0.00  -0.00
     8   6    -0.02   0.03  -0.00    -0.00  -0.01  -0.01    -0.01   0.07  -0.01
     9   6     0.01   0.01   0.00     0.03   0.04   0.03    -0.13  -0.07   0.03
    10   6    -0.03  -0.04   0.00     0.04  -0.06  -0.01    -0.05  -0.03   0.00
    11   6     0.02   0.02  -0.02    -0.06   0.17  -0.16     0.06  -0.00  -0.06
    12   8    -0.15   0.21  -0.00     0.02  -0.01  -0.00     0.02  -0.01  -0.00
    13   6     0.18  -0.21   0.00    -0.01   0.02  -0.00    -0.03   0.00   0.00
    14   1     0.12   0.23  -0.04    -0.04  -0.00   0.00     0.47   0.35  -0.08
    15   1     0.64  -0.33  -0.03     0.02  -0.02   0.00    -0.07  -0.04   0.01
    16   1     0.24  -0.05  -0.02    -0.00   0.00   0.00    -0.32   0.02   0.03
    17   1    -0.06  -0.03   0.01    -0.04  -0.02   0.01     0.12  -0.04  -0.00
    18   1     0.05   0.08  -0.01    -0.00  -0.01   0.04     0.23   0.28  -0.05
    19   1    -0.09  -0.01   0.03     0.12  -0.09   0.03     0.32  -0.17  -0.00
    20   1     0.02   0.02  -0.01    -0.39   0.02  -0.06     0.30   0.11  -0.08
    21   6    -0.01  -0.02   0.01     0.09  -0.12   0.07     0.00  -0.02   0.03
    22   6    -0.01   0.01   0.01    -0.02  -0.03   0.01    -0.00   0.05   0.03
    23   1     0.16  -0.17   0.00    -0.00   0.00   0.00    -0.05   0.04  -0.00
    24   1     0.09  -0.14  -0.01    -0.01   0.01   0.00     0.04   0.00  -0.01
    25   1     0.10  -0.14   0.02    -0.01   0.01  -0.00     0.05  -0.00   0.00
    26   1     0.02   0.02  -0.03    -0.26   0.07   0.11    -0.00  -0.02   0.03
    27   1     0.00  -0.01   0.05    -0.31  -0.30   0.48    -0.00  -0.02   0.01
    28   1    -0.01  -0.02   0.06     0.01   0.34  -0.27    -0.00  -0.00  -0.02
    29   8     0.00   0.00  -0.00     0.02   0.00   0.02    -0.01   0.01  -0.01
    30   8     0.00  -0.01   0.00     0.00   0.00   0.00     0.02  -0.05   0.01
    31   1    -0.01   0.03  -0.01    -0.03   0.10  -0.02    -0.06   0.23  -0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.6567              1173.6540              1187.6683
 Red. masses --      1.2713                 1.7436                 1.7069
 Frc consts  --      1.0300                 1.4150                 1.4186
 IR Inten    --      0.7728                50.0334                60.2547
 RamAct Fr= 1--      0.9263                26.3624                 1.7109
  Dep-P Fr= 1--      0.7264                 0.1989                 0.4781
  Dep-U Fr= 1--      0.8415                 0.3317                 0.6469
 Alpha2 Fr= 1--      0.0004                 0.3591                 0.0093
 Beta2  Fr= 1--      0.1299                 1.4576                 0.1845
 AlphaG Fr= 1--      0.0212                -0.1471                -0.0153
 Gamma2 Fr= 1--      0.1552                 0.1055                -0.4201
 Delta2 Fr= 1--     -0.0044                 0.0166                 0.0565
 Raman1 Fr= 1--       3.705                105.450                  6.844
 ROA1   Fr= 1--      14.755                 10.660                -38.526
 CID1   Fr= 1--       3.982                  0.101                 -5.629
 Raman2 Fr= 1--       1.559                 17.491                  2.214
 ROA2   Fr= 1--       3.759                  2.399                -10.535
 CID2   Fr= 1--       2.411                  0.137                 -4.759
 Raman3 Fr= 1--       3.118                 34.982                  4.427
 ROA3   Fr= 1--      14.755                 10.660                -38.526
 CID3   Fr= 1--       4.732                  0.305                 -8.702
 RC180  Fr= 1--       0.683                 -0.337                  0.294
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.04   0.03  -0.01    -0.09  -0.00   0.01
     2   6    -0.00  -0.00   0.00    -0.01  -0.04   0.00    -0.03  -0.01   0.00
     3   6     0.00   0.00  -0.00     0.04   0.02  -0.01    -0.00   0.03  -0.00
     4   6     0.00  -0.00  -0.00     0.02  -0.07   0.01    -0.12   0.06   0.01
     5   6    -0.00   0.00   0.00    -0.03  -0.01   0.00    -0.07   0.03   0.00
     6   6     0.00   0.00  -0.00     0.02   0.01  -0.00     0.06  -0.01  -0.00
     7   6     0.00   0.00  -0.00     0.07   0.08  -0.01     0.04  -0.04   0.00
     8   6    -0.00   0.00   0.00    -0.07  -0.01   0.00    -0.01  -0.02   0.00
     9   6    -0.00  -0.00   0.00    -0.07  -0.04   0.02    -0.04   0.01   0.00
    10   6     0.00   0.00  -0.00     0.01   0.06  -0.01     0.03   0.01  -0.00
    11   6     0.00  -0.00  -0.00     0.01  -0.01  -0.06     0.03  -0.01  -0.00
    12   8     0.00   0.01   0.06    -0.06   0.04   0.00     0.07  -0.06  -0.00
    13   6    -0.01  -0.01  -0.14     0.01  -0.06   0.01     0.01   0.09  -0.01
    14   1    -0.00  -0.00   0.01    -0.24  -0.22   0.05    -0.04  -0.02   0.01
    15   1    -0.00   0.00   0.01    -0.13   0.10   0.00     0.51  -0.18  -0.03
    16   1     0.00  -0.00  -0.00     0.20  -0.05  -0.01     0.39  -0.14  -0.03
    17   1     0.01  -0.00  -0.00     0.48  -0.07  -0.04     0.42  -0.18  -0.02
    18   1    -0.01  -0.01   0.00    -0.45  -0.31   0.09     0.03   0.01  -0.01
    19   1     0.01  -0.00  -0.00     0.18   0.00  -0.00     0.24  -0.07  -0.02
    20   1     0.00   0.00  -0.00     0.13   0.05  -0.07     0.08   0.02  -0.01
    21   6     0.00  -0.00   0.00     0.02  -0.01   0.03    -0.01  -0.00   0.00
    22   6     0.00   0.00   0.00     0.00   0.05   0.02    -0.00   0.01   0.00
    23   1     0.03   0.03   0.28    -0.09   0.15  -0.01     0.19  -0.28   0.01
    24   1     0.41  -0.50   0.19     0.08  -0.02  -0.03    -0.17   0.05   0.06
    25   1    -0.37   0.53   0.17     0.10  -0.04   0.01    -0.17   0.04  -0.03
    26   1    -0.00  -0.00   0.00    -0.04  -0.04   0.07     0.03   0.01  -0.02
    27   1    -0.00  -0.00  -0.00    -0.04  -0.03  -0.02     0.03   0.02  -0.01
    28   1     0.00   0.00  -0.00     0.00   0.02  -0.09    -0.01  -0.02   0.03
    29   8    -0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    30   8     0.00  -0.00   0.00     0.02  -0.05   0.02     0.00  -0.01   0.00
    31   1    -0.00   0.01  -0.00    -0.07   0.29  -0.06    -0.01   0.03  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1189.3493              1199.0356              1206.7726
 Red. masses --      1.4858                 1.4665                 1.7066
 Frc consts  --      1.2383                 1.2422                 1.4643
 IR Inten    --     69.0476                74.3854                 8.7596
 RamAct Fr= 1--     20.6904                77.8634                 4.9919
  Dep-P Fr= 1--      0.4985                 0.1873                 0.3415
  Dep-U Fr= 1--      0.6653                 0.3155                 0.5092
 Alpha2 Fr= 1--      0.1029                 1.0934                 0.0450
 Beta2  Fr= 1--      2.2943                 4.0942                 0.4236
 AlphaG Fr= 1--     -0.0563                 1.0451                 0.0564
 Gamma2 Fr= 1--     -1.0009                 4.0348                 2.0799
 Delta2 Fr= 1--     -0.0667                -3.1139                 0.8059
 Raman1 Fr= 1--      82.762                311.453                 19.968
 ROA1   Fr= 1--     -98.220                287.697                225.457
 CID1   Fr= 1--      -1.187                  0.924                 11.291
 Raman2 Fr= 1--      27.532                 49.130                  5.083
 ROA2   Fr= 1--     -23.488                121.746                 43.470
 CID2   Fr= 1--      -0.853                  2.478                  8.551
 Raman3 Fr= 1--      55.064                 98.261                 10.167
 ROA3   Fr= 1--     -98.220                287.697                225.457
 CID3   Fr= 1--      -1.784                  2.928                 22.176
 RC180  Fr= 1--       0.331                 -0.369                  0.018
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03   0.00     0.04   0.01  -0.01     0.03   0.06  -0.01
     2   6    -0.03   0.01   0.00    -0.03  -0.02   0.00    -0.01  -0.03   0.00
     3   6    -0.03   0.02   0.00    -0.00   0.00  -0.00     0.01  -0.02   0.00
     4   6     0.02   0.01  -0.00     0.01   0.01  -0.00    -0.09   0.06   0.00
     5   6     0.03  -0.04   0.00    -0.02   0.01   0.00    -0.06   0.03   0.00
     6   6     0.02   0.02  -0.00     0.03  -0.02  -0.00     0.01  -0.03   0.00
     7   6    -0.03   0.00   0.00    -0.00   0.01  -0.00    -0.01  -0.05   0.01
     8   6     0.04   0.02  -0.01     0.00   0.03  -0.00     0.02  -0.02   0.00
     9   6    -0.02  -0.01   0.02    -0.09  -0.02   0.00     0.05   0.06  -0.01
    10   6     0.00  -0.01  -0.00     0.01  -0.01   0.00     0.03  -0.03  -0.00
    11   6    -0.03  -0.07  -0.04     0.07   0.06   0.02    -0.02  -0.05   0.00
    12   8    -0.02  -0.02   0.00    -0.03   0.02   0.00     0.05   0.04  -0.01
    13   6     0.04   0.03  -0.01    -0.00  -0.03   0.00    -0.10  -0.07   0.02
    14   1    -0.30  -0.20   0.05    -0.30  -0.24   0.05    -0.08  -0.10   0.02
    15   1    -0.15   0.07   0.01    -0.19   0.08   0.01     0.27  -0.12  -0.02
    16   1     0.28  -0.07  -0.02     0.39  -0.16  -0.02     0.09  -0.07  -0.00
    17   1    -0.37   0.13   0.03    -0.15   0.07   0.01    -0.09  -0.03   0.01
    18   1     0.34   0.27  -0.06     0.27   0.26  -0.07     0.20   0.12  -0.03
    19   1    -0.01  -0.01   0.02     0.35  -0.15  -0.05     0.06  -0.04   0.00
    20   1     0.04  -0.04  -0.09     0.17   0.11   0.04    -0.12  -0.10  -0.03
    21   6     0.03   0.03   0.03    -0.03  -0.04  -0.01     0.00   0.03   0.00
    22   6     0.01   0.08   0.03    -0.02  -0.06  -0.02     0.00   0.03   0.01
    23   1     0.13  -0.17   0.00    -0.08   0.12  -0.00    -0.37   0.50  -0.01
    24   1    -0.14   0.03   0.04     0.06  -0.02  -0.02     0.35  -0.06  -0.10
    25   1    -0.15   0.02  -0.02     0.06  -0.01   0.01     0.37  -0.04   0.04
    26   1    -0.05  -0.10   0.13     0.06   0.10  -0.12    -0.00  -0.06   0.05
    27   1    -0.05   0.00  -0.13     0.06  -0.01   0.12    -0.00   0.03  -0.10
    28   1     0.01  -0.02  -0.15    -0.02   0.03   0.13     0.00  -0.04  -0.04
    29   8    -0.02   0.02  -0.03     0.02  -0.02   0.02    -0.01   0.01  -0.02
    30   8     0.03  -0.07   0.03    -0.02   0.05  -0.03     0.01  -0.03   0.02
    31   1    -0.11   0.42  -0.08     0.09  -0.34   0.07    -0.05   0.19  -0.04
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1260.8625              1296.9268              1304.8106
 Red. masses --      1.8117                 1.7765                 2.7008
 Frc consts  --      1.6969                 1.7605                 2.7092
 IR Inten    --     74.2116                21.5172               247.5652
 RamAct Fr= 1--     39.3587                 6.9484                21.5365
  Dep-P Fr= 1--      0.2732                 0.1866                 0.2003
  Dep-U Fr= 1--      0.4291                 0.3146                 0.3337
 Alpha2 Fr= 1--      0.4368                 0.0977                 0.2922
 Beta2  Fr= 1--      2.8149                 0.3643                 1.1979
 AlphaG Fr= 1--      0.2838                 0.0391                -0.0554
 Gamma2 Fr= 1--      5.4547                -1.9438                -0.8453
 Delta2 Fr= 1--     -0.7347                 0.0936                -1.0743
 Raman1 Fr= 1--     157.435                 27.793                 86.146
 ROA1   Fr= 1--     500.142               -183.604               -115.524
 CID1   Fr= 1--       3.177                 -6.606                 -1.341
 Raman2 Fr= 1--      33.779                  4.371                 14.375
 ROA2   Fr= 1--     136.790                -47.399                -11.692
 CID2   Fr= 1--       4.050                -10.843                 -0.813
 Raman3 Fr= 1--      67.557                  8.743                 28.750
 ROA3   Fr= 1--     500.142               -183.604               -115.524
 CID3   Fr= 1--       7.403                -21.001                 -4.018
 RC180  Fr= 1--      -0.142                 -0.371                 -0.333
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02   0.01     0.03   0.05  -0.01     0.22   0.12  -0.03
     2   6    -0.02   0.03  -0.00     0.05  -0.00  -0.00     0.03   0.03  -0.01
     3   6    -0.04   0.04   0.00     0.05   0.04  -0.01     0.02  -0.04   0.00
     4   6    -0.03  -0.02   0.01    -0.07  -0.14   0.02    -0.11   0.11   0.00
     5   6     0.14  -0.10  -0.00    -0.08  -0.12   0.02     0.01   0.04  -0.01
     6   6     0.01   0.05  -0.01    -0.01   0.04  -0.00     0.00  -0.10   0.01
     7   6    -0.02   0.05  -0.00    -0.01   0.06  -0.01    -0.01  -0.03   0.00
     8   6     0.01   0.01  -0.00     0.03  -0.00  -0.00    -0.01  -0.04   0.01
     9   6    -0.08  -0.10   0.03    -0.02   0.02  -0.00     0.00  -0.00   0.00
    10   6    -0.01   0.04  -0.00     0.05   0.05  -0.01     0.02  -0.03  -0.00
    11   6    -0.03   0.02  -0.02     0.01   0.00   0.01    -0.02  -0.01  -0.01
    12   8     0.07   0.00  -0.01    -0.04  -0.01   0.00    -0.16  -0.02   0.02
    13   6    -0.05  -0.00   0.01     0.02  -0.00  -0.00     0.10  -0.02  -0.01
    14   1    -0.25  -0.15   0.04     0.03  -0.02  -0.00    -0.24  -0.20   0.04
    15   1     0.37  -0.13  -0.02     0.46  -0.12  -0.03     0.12  -0.07  -0.01
    16   1    -0.20   0.14   0.01    -0.44   0.20   0.02    -0.39   0.04   0.04
    17   1     0.21  -0.03  -0.02    -0.36   0.19   0.02     0.38  -0.18  -0.02
    18   1     0.18   0.15  -0.03     0.08   0.04  -0.01     0.27   0.18  -0.05
    19   1    -0.44   0.19   0.04     0.51  -0.12  -0.05    -0.33   0.10   0.03
    20   1     0.38   0.20   0.02    -0.01  -0.01  -0.02     0.09   0.04  -0.00
    21   6     0.03  -0.02   0.00    -0.00  -0.01   0.00     0.01   0.00   0.00
    22   6     0.01  -0.01  -0.01    -0.00  -0.01  -0.00     0.00   0.01   0.00
    23   1    -0.12   0.15  -0.00     0.04  -0.04  -0.00     0.09  -0.04  -0.01
    24   1     0.13  -0.02  -0.03    -0.06   0.01   0.01    -0.27   0.04   0.04
    25   1     0.14  -0.01   0.01    -0.06   0.01  -0.00    -0.28   0.04   0.00
    26   1    -0.05   0.03   0.01     0.01   0.02  -0.02    -0.01  -0.01   0.01
    27   1    -0.05  -0.05   0.07     0.02   0.01  -0.01    -0.03  -0.01   0.01
    28   1     0.01   0.05  -0.06    -0.01   0.03   0.00     0.01  -0.01  -0.02
    29   8     0.01  -0.01   0.02    -0.00   0.00  -0.00     0.00  -0.01   0.01
    30   8    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
    31   1     0.02  -0.10   0.02    -0.01   0.05  -0.01     0.02  -0.08   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1323.9740              1347.0919              1349.2066
 Red. masses --      1.8706                 1.4375                 2.1221
 Frc consts  --      1.9320                 1.5369                 2.2760
 IR Inten    --      2.3585                 3.7775                27.7952
 RamAct Fr= 1--     23.4522                 9.4000                 2.1294
  Dep-P Fr= 1--      0.3084                 0.7129                 0.7472
  Dep-U Fr= 1--      0.4714                 0.8324                 0.8553
 Alpha2 Fr= 1--      0.2346                 0.0060                 0.0001
 Beta2  Fr= 1--      1.8424                 1.3041                 0.3036
 AlphaG Fr= 1--      0.7273                 0.0625                 0.0049
 Gamma2 Fr= 1--      9.5205                -3.6732                -0.5563
 Delta2 Fr= 1--     -2.4432                 1.1942                 0.3261
 Raman1 Fr= 1--      93.809                 37.600                  8.517
 ROA1   Fr= 1--     835.788               -314.416                -42.967
 CID1   Fr= 1--       8.910                 -8.362                 -5.045
 Raman2 Fr= 1--      22.109                 15.649                  3.643
 ROA2   Fr= 1--     248.038                -97.711                -15.959
 CID2   Fr= 1--      11.219                 -6.244                 -4.381
 Raman3 Fr= 1--      44.218                 31.299                  7.285
 ROA3   Fr= 1--     835.788               -314.416                -42.967
 CID3   Fr= 1--      18.901                -10.046                 -5.898
 RC180  Fr= 1--      -0.057                  0.665                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00    -0.01   0.02  -0.00    -0.02   0.01   0.00
     2   6     0.02  -0.03   0.00    -0.01   0.01  -0.00    -0.01   0.01   0.00
     3   6     0.04   0.01  -0.01    -0.02  -0.01   0.00    -0.01  -0.01   0.00
     4   6    -0.02  -0.02   0.00     0.01   0.01  -0.00     0.01  -0.01  -0.00
     5   6    -0.11   0.03   0.01     0.05  -0.01  -0.01     0.03  -0.01  -0.00
     6   6    -0.03   0.00   0.00     0.02  -0.01  -0.00     0.02   0.00  -0.00
     7   6    -0.01  -0.01   0.00     0.01  -0.00  -0.00     0.02   0.00  -0.00
     8   6     0.00   0.02  -0.01     0.00  -0.01  -0.00    -0.01  -0.01   0.00
     9   6     0.10  -0.03   0.01    -0.04   0.03   0.01    -0.03   0.03   0.00
    10   6     0.03   0.04  -0.01    -0.02  -0.03   0.00    -0.01  -0.02   0.00
    11   6    -0.16  -0.04  -0.08     0.05   0.00  -0.14     0.02  -0.04  -0.03
    12   8    -0.01   0.01   0.00     0.01  -0.01  -0.00     0.01  -0.00  -0.00
    13   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.22   0.12  -0.03    -0.12  -0.07   0.02    -0.07  -0.04   0.01
    15   1    -0.05   0.05   0.00     0.04  -0.04  -0.00     0.02  -0.03   0.00
    16   1     0.21  -0.09  -0.01    -0.12   0.05   0.01    -0.08   0.04   0.00
    17   1    -0.10   0.03   0.01    -0.02   0.01  -0.00    -0.04   0.03   0.00
    18   1     0.04   0.05   0.01    -0.06  -0.06   0.03    -0.05  -0.04   0.01
    19   1     0.02   0.06   0.01     0.07  -0.06   0.01     0.06  -0.04   0.02
    20   1     0.61   0.27   0.40    -0.18  -0.18   0.85    -0.27  -0.14  -0.39
    21   6     0.04   0.01   0.03    -0.04   0.06   0.04    -0.00  -0.02   0.04
    22   6     0.03   0.05   0.01    -0.01   0.00  -0.00     0.01   0.25   0.13
    23   1     0.01  -0.02   0.00     0.00   0.00  -0.00     0.00  -0.01   0.00
    24   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    26   1    -0.12   0.00   0.10     0.08  -0.13   0.10     0.04   0.11  -0.06
    27   1    -0.15  -0.06  -0.07     0.03   0.09  -0.17     0.00  -0.00  -0.15
    28   1     0.03  -0.01  -0.13    -0.02  -0.19   0.01    -0.01   0.03  -0.13
    29   8     0.02  -0.04   0.04     0.02  -0.02   0.02     0.01  -0.06   0.00
    30   8    -0.02   0.01  -0.03    -0.00   0.00  -0.01    -0.03  -0.04  -0.07
    31   1     0.07  -0.32   0.06     0.01  -0.06   0.01     0.17  -0.73   0.11
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1389.2627              1403.3210              1412.6404
 Red. masses --      2.4601                 2.6046                 3.6615
 Frc consts  --      2.7975                 3.0221                 4.3050
 IR Inten    --     14.2226                13.1619                 1.4105
 RamAct Fr= 1--     89.1211                 5.3030               520.9187
  Dep-P Fr= 1--      0.1916                 0.1727                 0.2039
  Dep-U Fr= 1--      0.3217                 0.2946                 0.3387
 Alpha2 Fr= 1--      1.2373                 0.0773                 7.0020
 Beta2  Fr= 1--      4.7776                 0.2604                29.4041
 AlphaG Fr= 1--      0.3086                 0.0569                 2.5393
 Gamma2 Fr= 1--      3.0785                -1.2898                 3.8341
 Delta2 Fr= 1--      5.4462                -0.4795                -1.3558
 Raman1 Fr= 1--     356.485                 21.212               2083.675
 ROA1   Fr= 1--     469.819               -139.167                324.690
 CID1   Fr= 1--       1.318                 -6.561                  0.156
 Raman2 Fr= 1--      57.332                  3.124                352.849
 ROA2   Fr= 1--      30.315                -27.120                102.865
 CID2   Fr= 1--       0.529                 -8.680                  0.292
 Raman3 Fr= 1--     114.663                  6.249                705.698
 ROA3   Fr= 1--     469.819               -139.167                324.690
 CID3   Fr= 1--       4.097                -22.271                  0.460
 RC180  Fr= 1--      -0.357                 -0.411                 -0.323
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.19  -0.01    -0.06   0.03   0.00    -0.01  -0.06   0.01
     2   6    -0.06  -0.03   0.01    -0.12  -0.06   0.02     0.06   0.06  -0.01
     3   6    -0.00  -0.10   0.01     0.16  -0.05  -0.01    -0.10  -0.01   0.01
     4   6     0.04  -0.06   0.00    -0.06  -0.02   0.01     0.09   0.25  -0.03
     5   6     0.05   0.12  -0.02    -0.06  -0.04   0.01    -0.07  -0.23   0.03
     6   6     0.13  -0.06  -0.01     0.11   0.06  -0.02    -0.03   0.04  -0.00
     7   6     0.09  -0.03  -0.01     0.09   0.07  -0.02     0.14  -0.08  -0.01
     8   6    -0.02   0.04  -0.00    -0.13  -0.08   0.02    -0.11  -0.05   0.01
     9   6    -0.01   0.07  -0.00    -0.07   0.03   0.00    -0.06   0.18  -0.01
    10   6    -0.06  -0.06   0.01     0.14  -0.05  -0.01     0.08  -0.06  -0.00
    11   6    -0.04  -0.03   0.03     0.04   0.01  -0.01    -0.03  -0.03   0.01
    12   8     0.02  -0.03   0.00    -0.00   0.02  -0.00     0.02  -0.00  -0.00
    13   6     0.01   0.03  -0.00    -0.01   0.01   0.00    -0.01   0.00   0.00
    14   1    -0.26  -0.19   0.05     0.25   0.25  -0.05    -0.13  -0.09   0.02
    15   1     0.10  -0.16   0.01    -0.39   0.16   0.02    -0.19   0.02   0.02
    16   1    -0.21   0.07   0.01    -0.13   0.16  -0.00    -0.32   0.14   0.02
    17   1    -0.47   0.18   0.03     0.01   0.11  -0.01    -0.03  -0.01   0.00
    18   1    -0.32  -0.20   0.05     0.35   0.32  -0.07    -0.16  -0.09   0.03
    19   1    -0.07  -0.07   0.01    -0.40   0.15   0.03     0.22  -0.12  -0.01
    20   1     0.43   0.20  -0.12    -0.07  -0.04   0.04     0.48   0.21  -0.05
    21   6     0.02  -0.01  -0.02    -0.01   0.02  -0.01    -0.00  -0.04   0.04
    22   6     0.00  -0.02  -0.02    -0.00   0.00   0.00     0.00  -0.03  -0.02
    23   1     0.07  -0.09   0.00     0.07  -0.16   0.01    -0.02   0.03  -0.00
    24   1    -0.00  -0.02   0.04     0.10  -0.02  -0.00     0.01  -0.00  -0.00
    25   1    -0.01  -0.03  -0.03     0.10  -0.02  -0.01     0.01  -0.00  -0.00
    26   1    -0.05   0.01   0.01     0.02  -0.09   0.04     0.06   0.22  -0.14
    27   1    -0.05  -0.04   0.06    -0.02   0.00   0.08     0.08   0.01  -0.22
    28   1     0.02   0.01   0.01     0.01  -0.08   0.06    -0.04   0.15  -0.21
    29   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    30   8     0.00   0.01   0.01     0.00  -0.00   0.00     0.00   0.01   0.01
    31   1    -0.01   0.05  -0.01    -0.00   0.01  -0.00    -0.01   0.05  -0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1418.6748              1456.8846              1479.8450
 Red. masses --      1.3078                 3.3322                 1.2094
 Frc consts  --      1.5508                 4.1671                 1.5604
 IR Inten    --      3.3840                 1.5734                 7.1192
 RamAct Fr= 1--     38.3397               194.0530                 9.7525
  Dep-P Fr= 1--      0.1959                 0.2524                 0.4753
  Dep-U Fr= 1--      0.3276                 0.4031                 0.6444
 Alpha2 Fr= 1--      0.5264                 2.2844                 0.0538
 Beta2  Fr= 1--      2.0933                13.0367                 1.0474
 AlphaG Fr= 1--      0.2086                 0.7341                 0.0288
 Gamma2 Fr= 1--     -1.2132                 9.9505                -0.8140
 Delta2 Fr= 1--      0.2478                -0.6853                 0.2909
 Raman1 Fr= 1--     153.359                776.212                 39.010
 ROA1   Fr= 1--    -108.540                933.316                -68.837
 CID1   Fr= 1--      -0.708                  1.202                 -1.765
 Raman2 Fr= 1--      25.120                156.440                 12.568
 ROA2   Fr= 1--     -31.100                244.293                -21.864
 CID2   Fr= 1--      -1.238                  1.562                 -1.740
 Raman3 Fr= 1--      50.240                312.881                 25.137
 ROA3   Fr= 1--    -108.540                933.316                -68.837
 CID3   Fr= 1--      -2.160                  2.983                 -2.739
 RC180  Fr= 1--      -0.345                 -0.194                  0.289
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.04  -0.15   0.01    -0.01  -0.01   0.00
     2   6     0.03   0.02  -0.00    -0.12   0.04   0.01    -0.05  -0.03   0.01
     3   6    -0.03   0.00   0.00     0.13   0.03  -0.02    -0.01   0.01   0.00
     4   6     0.03   0.04  -0.01    -0.17   0.01   0.02    -0.01  -0.01   0.00
     5   6    -0.01  -0.04   0.00     0.15  -0.01  -0.01     0.02  -0.00  -0.00
     6   6    -0.02   0.00   0.00     0.11   0.00  -0.01     0.01   0.03  -0.00
     7   6     0.02  -0.01  -0.00    -0.12  -0.01   0.01     0.03  -0.01  -0.00
     8   6    -0.02  -0.00   0.00     0.13  -0.04  -0.01    -0.00   0.01  -0.00
     9   6    -0.01   0.02  -0.00    -0.02   0.17  -0.01    -0.03   0.01   0.00
    10   6     0.01   0.00  -0.00    -0.13  -0.03   0.02     0.01  -0.02   0.00
    11   6    -0.00  -0.01  -0.00    -0.03  -0.05   0.01     0.00  -0.00  -0.00
    12   8     0.01  -0.00  -0.00    -0.02   0.04  -0.00     0.03  -0.01  -0.00
    13   6    -0.00   0.00   0.00    -0.01  -0.01   0.00     0.07  -0.07  -0.00
    14   1    -0.05  -0.04   0.01     0.04   0.19  -0.02     0.16   0.13  -0.03
    15   1     0.02  -0.02  -0.00    -0.31   0.23   0.01     0.04  -0.01  -0.00
    16   1    -0.04   0.01   0.00    -0.20   0.13   0.01     0.09   0.00  -0.01
    17   1     0.00  -0.00  -0.00     0.19  -0.14  -0.00    -0.08   0.04   0.00
    18   1    -0.03  -0.01   0.00    -0.07  -0.23   0.03    -0.06  -0.04   0.01
    19   1     0.10  -0.04  -0.01     0.42  -0.25  -0.02    -0.06   0.01   0.01
    20   1     0.02   0.00  -0.06     0.38   0.14  -0.06     0.03   0.01  -0.01
    21   6     0.03   0.07  -0.11     0.01   0.00  -0.02    -0.00   0.00  -0.00
    22   6     0.00   0.04   0.02     0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   1    -0.01   0.02  -0.00    -0.00  -0.04   0.00    -0.23   0.52  -0.03
    24   1    -0.01   0.00   0.00     0.07   0.02  -0.04    -0.44   0.27  -0.15
    25   1    -0.01   0.00   0.00     0.07   0.03   0.03    -0.41   0.30   0.18
    26   1    -0.23  -0.43   0.30    -0.07  -0.02   0.03     0.04  -0.02  -0.00
    27   1    -0.23  -0.08   0.51    -0.04  -0.02   0.03     0.01   0.00   0.03
    28   1     0.10  -0.26   0.47     0.02  -0.01   0.07    -0.00  -0.01  -0.03
    29   8     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   8    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.02  -0.08   0.01     0.00  -0.01   0.00    -0.00  -0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1494.9600              1495.6971              1502.6655
 Red. masses --      1.0488                 1.0467                 1.0524
 Frc consts  --      1.3810                 1.3796                 1.4001
 IR Inten    --      9.7971                 7.7628                12.0344
 RamAct Fr= 1--      5.5853                11.5478                 8.3818
  Dep-P Fr= 1--      0.7456                 0.7499                 0.4934
  Dep-U Fr= 1--      0.8543                 0.8571                 0.6608
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0427
 Beta2  Fr= 1--      0.7952                 1.6496                 0.9231
 AlphaG Fr= 1--      0.0055                 0.0026                 0.3170
 Gamma2 Fr= 1--      0.8216                 0.2392                 3.6957
 Delta2 Fr= 1--     -0.9915                 0.1766                 2.3103
 Raman1 Fr= 1--      22.341                 46.191                 33.527
 ROA1   Fr= 1--      47.145                 28.613                428.713
 CID1   Fr= 1--       2.110                  0.619                 12.787
 Raman2 Fr= 1--       9.543                 19.795                 11.077
 ROA2   Fr= 1--      27.650                  4.327                 70.214
 CID2   Fr= 1--       2.898                  0.219                  6.339
 Raman3 Fr= 1--      19.085                 39.590                 22.154
 ROA3   Fr= 1--      47.145                 28.613                428.713
 CID3   Fr= 1--       2.470                  0.723                 19.352
 RC180  Fr= 1--       0.709                  0.714                  0.322
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.01   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.01   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   6     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.02   0.01   0.00     0.00  -0.00  -0.00    -0.02  -0.02  -0.02
    12   8    -0.01   0.00   0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
    13   6    -0.01   0.00  -0.00    -0.01  -0.01  -0.06    -0.00  -0.00   0.00
    14   1     0.01   0.00  -0.00    -0.00  -0.00  -0.02     0.00   0.00  -0.00
    15   1     0.01   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   1     0.02  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.02   0.00   0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    18   1    -0.03  -0.03   0.01     0.00   0.00   0.00    -0.01  -0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.01   0.02
    20   1     0.05   0.05  -0.05    -0.00  -0.00   0.00     0.02  -0.01   0.05
    21   6    -0.04   0.02   0.01     0.00  -0.00  -0.00    -0.03  -0.04  -0.02
    22   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.02   0.01
    23   1     0.02  -0.04   0.01     0.07   0.07   0.71     0.00  -0.01  -0.00
    24   1     0.03  -0.01   0.01    -0.47  -0.05   0.13     0.00   0.01  -0.01
    25   1     0.04  -0.01  -0.01     0.48   0.06   0.01     0.00   0.01   0.00
    26   1     0.60  -0.35  -0.06    -0.01   0.01   0.00    -0.15  -0.30   0.20
    27   1     0.13   0.06   0.46    -0.00  -0.00  -0.01     0.61   0.24   0.07
    28   1    -0.05  -0.12  -0.49     0.00   0.00   0.01    -0.06   0.62   0.13
    29   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.02   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.9339              1524.3811              1547.5136
 Red. masses --      1.0601                 2.3928                 3.5057
 Frc consts  --      1.4184                 3.2760                 4.9464
 IR Inten    --     47.9664                21.1815                75.5772
 RamAct Fr= 1--     18.6263               154.2144                 7.1807
  Dep-P Fr= 1--      0.4563                 0.2677                 0.2290
  Dep-U Fr= 1--      0.6267                 0.4223                 0.3727
 Alpha2 Fr= 1--      0.1113                 1.7384                 0.0902
 Beta2  Fr= 1--      1.9454                10.8552                 0.4461
 AlphaG Fr= 1--      0.0114                 0.7579                 0.0088
 Gamma2 Fr= 1--      0.7582                 3.1805                -0.8998
 Delta2 Fr= 1--      0.1936                -0.5214                -0.2038
 Raman1 Fr= 1--      74.505                616.858                 28.723
 ROA1   Fr= 1--      78.981                288.639                -92.906
 CID1   Fr= 1--       1.060                  0.468                 -3.235
 Raman2 Fr= 1--      23.345                130.263                  5.353
 ROA2   Fr= 1--      16.648                 80.503                -19.966
 CID2   Fr= 1--       0.713                  0.618                 -3.730
 Raman3 Fr= 1--      46.691                260.525                 10.706
 ROA3   Fr= 1--      78.981                288.639                -92.906
 CID3   Fr= 1--       1.692                  1.108                 -8.678
 RC180  Fr= 1--       0.253                 -0.155                 -0.255
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.00     0.14  -0.02  -0.01     0.08   0.17  -0.03
     2   6     0.00  -0.00   0.00    -0.05  -0.06   0.01    -0.06  -0.16   0.02
     3   6    -0.01   0.00   0.00    -0.03   0.05  -0.00    -0.10  -0.03   0.01
     4   6    -0.00   0.00  -0.00    -0.13   0.04   0.01     0.12  -0.06  -0.01
     5   6     0.00  -0.00  -0.00     0.08  -0.02  -0.01     0.14  -0.06  -0.01
     6   6    -0.01   0.00   0.00    -0.08   0.05   0.00    -0.14   0.12   0.00
     7   6     0.01  -0.01  -0.00     0.11  -0.09  -0.00    -0.09   0.10  -0.00
     8   6     0.00   0.01  -0.00     0.06   0.10  -0.02    -0.05  -0.13   0.02
     9   6    -0.01  -0.01   0.00    -0.13  -0.02   0.01     0.01   0.18  -0.02
    10   6     0.00  -0.00  -0.00     0.07  -0.04  -0.00    -0.05  -0.06   0.01
    11   6     0.00   0.00  -0.00     0.03   0.00  -0.00    -0.01  -0.03   0.00
    12   8    -0.02  -0.01   0.00    -0.05   0.01   0.00    -0.03  -0.02   0.00
    13   6    -0.03  -0.04   0.01    -0.02   0.03  -0.00    -0.01   0.02  -0.00
    14   1    -0.00  -0.01   0.00     0.30   0.21  -0.05     0.39   0.18  -0.06
    15   1     0.04  -0.02  -0.00     0.15  -0.01  -0.01     0.24  -0.17  -0.01
    16   1     0.02  -0.01  -0.00     0.28  -0.08  -0.02     0.45  -0.10  -0.04
    17   1    -0.04   0.01   0.00    -0.41   0.10   0.03     0.31  -0.05  -0.03
    18   1    -0.03  -0.02   0.01    -0.38  -0.25   0.06     0.25   0.10  -0.04
    19   1    -0.02   0.01   0.00    -0.26   0.08   0.02     0.14  -0.14  -0.00
    20   1    -0.01  -0.00   0.00     0.01  -0.00   0.00     0.18   0.06  -0.02
    21   6     0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    22   6    -0.00  -0.00  -0.00    -0.00   0.01  -0.00    -0.00  -0.00  -0.00
    23   1     0.14  -0.36   0.03     0.05  -0.13   0.01     0.06  -0.12   0.00
    24   1     0.17   0.44  -0.44     0.13  -0.18   0.13     0.07  -0.06   0.04
    25   1     0.25   0.52   0.30     0.10  -0.20  -0.12     0.06  -0.07  -0.05
    26   1    -0.01   0.01  -0.00    -0.08   0.04   0.01    -0.00  -0.00  -0.00
    27   1    -0.01  -0.01  -0.01    -0.04  -0.01  -0.05     0.01   0.00  -0.00
    28   1     0.00  -0.01   0.01     0.01  -0.01   0.08    -0.00   0.01   0.00
    29   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1609.1984              1652.2589              1676.2956
 Red. masses --      6.8291                 5.6802                 6.3361
 Frc consts  --     10.4192                 9.1364                10.4900
 IR Inten    --      5.9389                99.5114                67.2266
 RamAct Fr= 1--     81.1119                18.1679               512.1119
  Dep-P Fr= 1--      0.6071                 0.6208                 0.3573
  Dep-U Fr= 1--      0.7555                 0.7661                 0.5265
 Alpha2 Fr= 1--      0.2137                 0.0429                 4.3901
 Beta2  Fr= 1--     10.2136                 2.3196                44.9366
 AlphaG Fr= 1--      0.3313                 0.1668                 4.1950
 Gamma2 Fr= 1--      4.8546                 0.4866                40.6460
 Delta2 Fr= 1--     -3.5961                -2.0281                -4.7423
 Raman1 Fr= 1--     324.448                 72.671               2048.447
 ROA1   Fr= 1--     350.968                -18.187               3750.268
 CID1   Fr= 1--       1.082                 -0.250                  1.831
 Raman2 Fr= 1--     122.564                 27.835                539.239
 ROA2   Fr= 1--     145.279                 27.903               1013.443
 CID2   Fr= 1--       1.185                  1.002                  1.879
 Raman3 Fr= 1--     245.127                 55.670               1078.478
 ROA3   Fr= 1--     350.968                -18.187               3750.268
 CID3   Fr= 1--       1.432                 -0.327                  3.477
 RC180  Fr= 1--       0.511                  0.532                  0.053
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.24   0.02    -0.20   0.13   0.01    -0.15   0.11   0.00
     2   6     0.20   0.17  -0.04     0.20   0.03  -0.02     0.17   0.01  -0.02
     3   6    -0.06   0.16  -0.01     0.20  -0.13  -0.01     0.23  -0.11  -0.01
     4   6    -0.08  -0.27   0.04    -0.01   0.00   0.00    -0.25   0.07   0.02
     5   6     0.07   0.27  -0.03    -0.03  -0.02   0.01     0.25  -0.09  -0.02
     6   6    -0.15  -0.09   0.02    -0.20   0.02   0.02    -0.24   0.06   0.02
     7   6     0.14   0.09  -0.02    -0.23   0.01   0.02     0.22  -0.05  -0.02
     8   6    -0.17  -0.15   0.03     0.24   0.06  -0.03    -0.16  -0.03   0.02
     9   6    -0.05   0.24  -0.02    -0.20   0.11   0.01     0.13  -0.08  -0.00
    10   6     0.10  -0.17   0.01     0.21  -0.12  -0.01    -0.21   0.10   0.01
    11   6     0.00  -0.02   0.00     0.02  -0.02  -0.00    -0.01   0.01   0.00
    12   8     0.00   0.02  -0.00     0.02  -0.02  -0.00     0.01  -0.01   0.00
    13   6    -0.01  -0.01   0.00     0.02  -0.00  -0.00     0.02  -0.01  -0.00
    14   1    -0.25  -0.19   0.04    -0.16  -0.27   0.04    -0.08  -0.19   0.03
    15   1     0.23   0.05  -0.03    -0.29   0.05   0.02    -0.31   0.10   0.02
    16   1     0.11  -0.20   0.01     0.17  -0.13  -0.00     0.29  -0.15  -0.02
    17   1    -0.13   0.20  -0.01     0.18  -0.17  -0.00    -0.25   0.14   0.01
    18   1     0.18   0.15  -0.03    -0.19  -0.31   0.05     0.09   0.18  -0.03
    19   1    -0.33  -0.02   0.04    -0.33   0.07   0.03     0.33  -0.10  -0.03
    20   1     0.19   0.06  -0.01     0.12   0.03  -0.01    -0.08  -0.02   0.01
    21   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.00  -0.00  -0.00    -0.01   0.02  -0.01     0.01  -0.01   0.01
    23   1    -0.03   0.03   0.00     0.01   0.03  -0.00     0.01   0.02  -0.00
    24   1     0.01   0.01  -0.02    -0.06   0.05  -0.04    -0.05   0.04  -0.03
    25   1     0.01   0.01   0.01    -0.05   0.06   0.04    -0.04   0.05   0.03
    26   1    -0.02   0.01  -0.00    -0.03  -0.00   0.01     0.02   0.00  -0.01
    27   1     0.02   0.01  -0.03    -0.00   0.00  -0.01    -0.01  -0.00   0.01
    28   1    -0.00   0.02   0.02     0.01  -0.00   0.03    -0.00  -0.01  -0.02
    29   8     0.00  -0.00   0.00     0.01  -0.01   0.01    -0.00   0.01  -0.01
    30   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1808.2370              3008.3383              3045.5832
 Red. masses --      9.5572                 1.0348                 1.0364
 Frc consts  --     18.4116                 5.5175                 5.6638
 IR Inten    --    361.2354                68.5769                29.1135
 RamAct Fr= 1--     62.6963               267.1866               287.6924
  Dep-P Fr= 1--      0.2038                 0.0494                 0.0909
  Dep-U Fr= 1--      0.3386                 0.0942                 0.1666
 Alpha2 Fr= 1--      0.8429                 5.2853                 5.1508
 Beta2  Fr= 1--      3.5380                 4.1926                 7.9868
 AlphaG Fr= 1--      0.6432                 0.6643                -1.6385
 Gamma2 Fr= 1--     12.7173                 0.6436                -1.4600
 Delta2 Fr= 1--     -7.2010                -1.1035                 0.8015
 Raman1 Fr= 1--     250.785               1068.747               1150.770
 ROA1   Fr= 1--     990.431                 26.477               -114.509
 CID1   Fr= 1--       3.949                  0.025                 -0.100
 Raman2 Fr= 1--      42.456                 50.312                 95.841
 ROA2   Fr= 1--     362.823                 24.275                -41.451
 CID2   Fr= 1--       8.546                  0.483                 -0.432
 Raman3 Fr= 1--      84.913                100.623                191.682
 ROA3   Fr= 1--     990.431                 26.477               -114.509
 CID3   Fr= 1--      11.664                  0.263                 -0.597
 RC180  Fr= 1--      -0.323                 -0.812                 -0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.01   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   6     0.01   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6    -0.03   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6     0.02  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.03   0.01  -0.07    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.01   0.05  -0.00     0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.00    -0.02   0.02  -0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.01  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1    -0.01  -0.02   0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1    -0.04   0.01   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
    20   1     0.13   0.03   0.22     0.00  -0.00  -0.00    -0.01   0.02   0.00
    21   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.03  -0.01   0.04
    22   6     0.33  -0.31   0.54     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00     0.26   0.13  -0.04    -0.00  -0.00   0.00
    24   1     0.00  -0.00   0.00    -0.12  -0.42  -0.51     0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.01  -0.32   0.60     0.00   0.00  -0.00
    26   1    -0.02  -0.02   0.00    -0.00  -0.00  -0.00    -0.21  -0.27  -0.46
    27   1    -0.01  -0.00   0.00    -0.00   0.00   0.00    -0.17   0.39   0.03
    28   1     0.00  -0.01   0.03     0.00   0.00  -0.00     0.69   0.05  -0.05
    29   8    -0.20   0.22  -0.33    -0.00   0.00  -0.00     0.00   0.00   0.00
    30   8    -0.03   0.03  -0.04    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    31   1     0.11  -0.46   0.08    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3064.1576              3083.8909              3106.9101
 Red. masses --      1.1058                 1.0851                 1.1020
 Frc consts  --      6.1174                 6.0800                 6.2673
 IR Inten    --     36.5745                 4.6656                28.2040
 RamAct Fr= 1--     86.5346                71.0786               138.5500
  Dep-P Fr= 1--      0.7499                 0.2157                 0.6807
  Dep-U Fr= 1--      0.8571                 0.3549                 0.8100
 Alpha2 Fr= 1--      0.0001                 0.9256                 0.1694
 Beta2  Fr= 1--     12.3615                 4.2038                18.7040
 AlphaG Fr= 1--      0.0426                 0.4597                 0.4302
 Gamma2 Fr= 1--      2.9682                -4.3904                -5.3913
 Delta2 Fr= 1--      2.5061                -1.0780                 1.3473
 Raman1 Fr= 1--     346.139                284.314                554.200
 ROA1   Fr= 1--     365.137               -455.975               -474.450
 CID1   Fr= 1--       1.055                 -1.604                 -0.856
 Raman2 Fr= 1--     148.338                 50.446                224.448
 ROA2   Fr= 1--      51.187                -96.745               -140.169
 CID2   Fr= 1--       0.345                 -1.918                 -0.625
 Raman3 Fr= 1--     296.677                100.891                448.895
 ROA3   Fr= 1--     365.137               -455.975               -474.450
 CID3   Fr= 1--       1.231                 -4.519                 -1.057
 RC180  Fr= 1--       0.714                 -0.290                  0.620
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   6     0.00  -0.00  -0.00     0.03  -0.07  -0.01    -0.00   0.00  -0.00
    12   8     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.01  -0.01  -0.09     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.00     0.02  -0.02  -0.00    -0.00   0.00  -0.00
    19   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.00   0.00  -0.00
    20   1    -0.00   0.00   0.00    -0.40   0.88   0.07     0.03  -0.06  -0.00
    21   6     0.00   0.00  -0.00    -0.01   0.02   0.00    -0.08  -0.02  -0.04
    22   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1    -0.00  -0.00  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.14   0.46   0.52    -0.00  -0.00  -0.00     0.00   0.00   0.00
    25   1    -0.03  -0.34   0.61     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.00   0.00   0.00    -0.01  -0.01  -0.02     0.24   0.33   0.57
    27   1     0.00  -0.00  -0.00     0.08  -0.19  -0.01     0.05  -0.16  -0.02
    28   1    -0.00  -0.00   0.00     0.07   0.01  -0.00     0.68   0.05  -0.06
    29   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    31   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3131.1859              3134.4976              3165.8144
 Red. masses --      1.1003                 1.0988                 1.0863
 Frc consts  --      6.3562                 6.3604                 6.4146
 IR Inten    --     15.2651                25.1774                 3.9294
 RamAct Fr= 1--     29.8692               183.2719                66.4183
  Dep-P Fr= 1--      0.4980                 0.4405                 0.7328
  Dep-U Fr= 1--      0.6649                 0.6116                 0.8458
 Alpha2 Fr= 1--      0.1489                 1.1668                 0.0195
 Beta2  Fr= 1--      3.3099                18.6808                 9.3630
 AlphaG Fr= 1--     -0.3160                -0.2226                -0.0578
 Gamma2 Fr= 1--     -0.9779                -0.4177                -4.0164
 Delta2 Fr= 1--     -0.9165                -1.1542                 2.1656
 Raman1 Fr= 1--     119.477                733.087                265.673
 ROA1   Fr= 1--    -123.210                -77.035               -316.272
 CID1   Fr= 1--      -1.031                 -0.105                 -1.190
 Raman2 Fr= 1--      39.718                224.169                112.356
 ROA2   Fr= 1--     -16.139                 -0.792               -113.717
 CID2   Fr= 1--      -0.406                 -0.004                 -1.012
 Raman3 Fr= 1--      79.437                448.338                224.711
 ROA3   Fr= 1--    -123.210                -77.035               -316.272
 CID3   Fr= 1--      -1.551                 -0.172                 -1.407
 RC180  Fr= 1--       0.330                  0.223                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.06   0.01
     8   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.04   0.05  -0.00
     9   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.01  -0.02  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.07  -0.05   0.01    -0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00     0.02  -0.02   0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.05   0.01
    16   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.00   0.00  -0.00
    17   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.24   0.65  -0.09
    18   1     0.01  -0.02   0.00     0.00  -0.00   0.00     0.45  -0.54   0.02
    19   1    -0.02  -0.06   0.01     0.00  -0.00   0.00     0.01   0.02  -0.00
    20   1    -0.08   0.19   0.01    -0.00   0.00   0.00     0.01  -0.03  -0.00
    21   6     0.03  -0.08  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23   1    -0.01  -0.00   0.00     0.86   0.41  -0.13     0.00   0.00  -0.00
    24   1    -0.00  -0.00  -0.00     0.03   0.11   0.15     0.00   0.00   0.00
    25   1     0.00  -0.00   0.00    -0.01   0.08  -0.17    -0.00   0.00  -0.00
    26   1     0.15   0.18   0.33     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1    -0.34   0.79   0.03    -0.00   0.01   0.00     0.00  -0.01  -0.00
    28   1    -0.19  -0.03   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3170.2965              3179.4823              3182.8696
 Red. masses --      1.0890                 1.0894                 1.0944
 Frc consts  --      6.4490                 6.4887                 6.5322
 IR Inten    --      5.3200                11.0683                11.4679
 RamAct Fr= 1--     46.1783                50.6688               131.9435
  Dep-P Fr= 1--      0.4752                 0.4760                 0.2120
  Dep-U Fr= 1--      0.6442                 0.6450                 0.3498
 Alpha2 Fr= 1--      0.2549                 0.2787                 1.7355
 Beta2  Fr= 1--      4.9583                 5.4470                 7.6921
 AlphaG Fr= 1--      0.0711                 0.1929                -0.4818
 Gamma2 Fr= 1--      1.3179                 5.2600                -3.7679
 Delta2 Fr= 1--     -0.5948                 2.2148                -1.0695
 Raman1 Fr= 1--     184.713                202.675                527.774
 ROA1   Fr= 1--     107.487                575.834               -395.944
 CID1   Fr= 1--       0.582                  2.841                 -0.750
 Raman2 Fr= 1--      59.499                 65.364                 92.305
 ROA2   Fr= 1--      36.389                108.521                -81.874
 CID2   Fr= 1--       0.612                  1.660                 -0.887
 Raman3 Fr= 1--     118.999                130.728                184.611
 ROA3   Fr= 1--     107.487                575.834               -395.944
 CID3   Fr= 1--       0.903                  4.405                 -2.145
 RC180  Fr= 1--       0.288                  0.290                 -0.300
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.03  -0.08   0.01    -0.01  -0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.02  -0.05   0.01
     8   6    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.04  -0.04   0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.01   0.01  -0.00    -0.03  -0.08   0.01     0.00   0.02  -0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.11  -0.15   0.00     0.03  -0.03   0.00    -0.00   0.01  -0.00
    15   1     0.02   0.05  -0.01     0.00   0.01  -0.00    -0.11  -0.29   0.04
    16   1     0.33   0.89  -0.12     0.06   0.17  -0.02    -0.00  -0.01   0.00
    17   1    -0.00  -0.00   0.00     0.04   0.11  -0.02     0.23   0.60  -0.09
    18   1     0.01  -0.01   0.00    -0.10   0.12  -0.00    -0.42   0.51  -0.01
    19   1    -0.06  -0.17   0.02     0.33   0.89  -0.11    -0.06  -0.17   0.02
    20   1     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.01   0.02   0.00
    21   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   1    -0.01  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00     0.01   0.01   0.01    -0.00  -0.00  -0.00
    27   1     0.01  -0.01  -0.00    -0.02   0.06   0.00     0.00  -0.00  -0.00
    28   1     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    29   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3186.9783              3214.7815              3728.7439
 Red. masses --      1.0905                 1.0911                 1.0641
 Frc consts  --      6.5260                 6.6438                 8.7165
 IR Inten    --      7.7096                 7.8298                69.0306
 RamAct Fr= 1--    199.6274               139.4639               149.6649
  Dep-P Fr= 1--      0.2156                 0.2421                 0.2715
  Dep-U Fr= 1--      0.3547                 0.3898                 0.4270
 Alpha2 Fr= 1--      2.6006                 1.6897                 1.6690
 Beta2  Fr= 1--     11.8002                 9.0610                10.6513
 AlphaG Fr= 1--     -0.5598                 0.2817                 1.0559
 Gamma2 Fr= 1--     -1.7810                 1.9236                14.9029
 Delta2 Fr= 1--     -1.0967                 0.5968                -5.4912
 Raman1 Fr= 1--     798.510                557.856                598.660
 ROA1   Fr= 1--    -206.076                203.761               1254.960
 CID1   Fr= 1--      -0.258                  0.365                  2.096
 Raman2 Fr= 1--     141.603                108.732                127.816
 ROA2   Fr= 1--     -33.971                 41.392                401.598
 CID2   Fr= 1--      -0.240                  0.381                  3.142
 Raman3 Fr= 1--     283.205                217.463                255.632
 ROA3   Fr= 1--    -206.076                203.761               1254.960
 CID3   Fr= 1--      -0.728                  0.937                  4.909
 RC180  Fr= 1--      -0.291                 -0.220                 -0.146
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.05  -0.07   0.00     0.00   0.00  -0.00
     3   6    -0.03  -0.08   0.01    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.01  -0.02   0.00     0.00   0.00  -0.00
     7   6    -0.01  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01  -0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    12   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1    -0.00   0.00   0.00    -0.61   0.76  -0.01     0.00  -0.00   0.00
    15   1     0.34   0.87  -0.12     0.00   0.01  -0.00     0.00   0.00  -0.00
    16   1    -0.02  -0.05   0.01     0.07   0.17  -0.02    -0.00  -0.00   0.00
    17   1     0.08   0.23  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1    -0.11   0.14  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.02  -0.05   0.01     0.00   0.01  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    22   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
    24   1    -0.00   0.00   0.00     0.01   0.01   0.02    -0.00  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00   0.01  -0.02     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    29   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    30   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.02  -0.02  -0.05
    31   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.36   0.31   0.88

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  8 and mass  15.99491
 Atom    30 has atomic number  8 and mass  15.99491
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1413.160478595.740719106.36968
           X            0.99993  -0.00576  -0.01068
           Y            0.00565   0.99993  -0.00995
           Z            0.01074   0.00989   0.99989
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06129     0.01008     0.00951
 Rotational constants (GHZ):           1.27710     0.20996     0.19818
 Zero-point vibrational energy     658224.9 (Joules/Mol)
                                  157.31952 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     19.83    56.16    70.94   107.33   166.62
          (Kelvin)            200.39   262.35   281.43   332.49   334.59
                              357.15   390.95   438.01   504.56   566.93
                              600.01   608.45   673.54   695.19   769.98
                              801.93   831.46   858.12   888.37   915.95
                              985.55   995.54  1090.27  1120.35  1150.92
                             1172.59  1176.94  1211.72  1225.38  1289.66
                             1319.38  1348.13  1366.16  1384.07  1410.83
                             1457.92  1531.50  1541.18  1591.44  1668.92
                             1687.19  1688.63  1708.79  1711.21  1725.14
                             1736.28  1814.10  1865.99  1877.33  1904.90
                             1938.16  1941.21  1998.84  2019.07  2032.47
                             2041.16  2096.13  2129.17  2150.91  2151.97
                             2162.00  2168.14  2193.24  2226.53  2315.28
                             2377.23  2411.82  2601.65  4328.33  4381.91
                             4408.64  4437.03  4470.15  4505.08  4509.84
                             4554.90  4561.35  4574.57  4579.44  4585.35
                             4625.35  5364.83
 
 Zero-point correction=                           0.250705 (Hartree/Particle)
 Thermal correction to Energy=                    0.266022
 Thermal correction to Enthalpy=                  0.266966
 Thermal correction to Gibbs Free Energy=         0.206297
 Sum of electronic and zero-point Energies=           -767.722578
 Sum of electronic and thermal Energies=              -767.707261
 Sum of electronic and thermal Enthalpies=            -767.706317
 Sum of electronic and thermal Free Energies=         -767.766985
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.931             58.703            127.688
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.070
 Vibrational            165.154             52.741             52.416
 Vibration     1          0.593              1.986              7.374
 Vibration     2          0.594              1.981              5.308
 Vibration     3          0.595              1.978              4.845
 Vibration     4          0.599              1.966              4.028
 Vibration     5          0.608              1.936              3.169
 Vibration     6          0.615              1.914              2.814
 Vibration     7          0.630              1.864              2.304
 Vibration     8          0.636              1.846              2.174
 Vibration     9          0.653              1.793              1.870
 Vibration    10          0.653              1.791              1.859
 Vibration    11          0.662              1.766              1.743
 Vibration    12          0.675              1.725              1.585
 Vibration    13          0.695              1.665              1.392
 Vibration    14          0.728              1.574              1.163
 Vibration    15          0.761              1.483              0.985
 Vibration    16          0.780              1.433              0.902
 Vibration    17          0.785              1.420              0.882
 Vibration    18          0.825              1.321              0.743
 Vibration    19          0.839              1.287              0.702
 Vibration    20          0.890              1.172              0.576
 Vibration    21          0.913              1.124              0.529
 Vibration    22          0.934              1.079              0.489
 Vibration    23          0.954              1.039              0.456
 Vibration    24          0.977              0.995              0.421
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.128798D-94        -94.890089       -218.492505
 Total V=0       0.266640D+21         20.425925         47.032431
 Vib (Bot)       0.249369-109       -109.603158       -252.370597
 Vib (Bot)    1  0.150337D+02          1.177067          2.710297
 Vib (Bot)    2  0.530147D+01          0.724397          1.667985
 Vib (Bot)    3  0.419277D+01          0.622501          1.433362
 Vib (Bot)    4  0.276301D+01          0.441382          1.016320
 Vib (Bot)    5  0.176635D+01          0.247078          0.568917
 Vib (Bot)    6  0.146018D+01          0.164406          0.378558
 Vib (Bot)    7  0.110062D+01          0.041636          0.095870
 Vib (Bot)    8  0.102106D+01          0.009052          0.020843
 Vib (Bot)    9  0.851884D+00         -0.069620         -0.160305
 Vib (Bot)   10  0.845994D+00         -0.072633         -0.167243
 Vib (Bot)   11  0.786894D+00         -0.104084         -0.239662
 Vib (Bot)   12  0.710607D+00         -0.148371         -0.341636
 Vib (Bot)   13  0.623134D+00         -0.205419         -0.472994
 Vib (Bot)   14  0.525876D+00         -0.279117         -0.642690
 Vib (Bot)   15  0.454303D+00         -0.342654         -0.788990
 Vib (Bot)   16  0.422007D+00         -0.374680         -0.862733
 Vib (Bot)   17  0.414287D+00         -0.382699         -0.881196
 Vib (Bot)   18  0.360874D+00         -0.442644         -1.019226
 Vib (Bot)   19  0.345193D+00         -0.461939         -1.063653
 Vib (Bot)   20  0.297404D+00         -0.526653         -1.212664
 Vib (Bot)   21  0.279563D+00         -0.553520         -1.274527
 Vib (Bot)   22  0.264239D+00         -0.578003         -1.330900
 Vib (Bot)   23  0.251279D+00         -0.599845         -1.381193
 Vib (Bot)   24  0.237484D+00         -0.624365         -1.437653
 Vib (V=0)       0.516246D+06          5.712857         13.154339
 Vib (V=0)    1  0.155421D+02          1.191508          2.743549
 Vib (V=0)    2  0.582500D+01          0.765296          1.762159
 Vib (V=0)    3  0.472248D+01          0.674170          1.552334
 Vib (V=0)    4  0.330788D+01          0.519550          1.196308
 Vib (V=0)    5  0.233576D+01          0.368428          0.848336
 Vib (V=0)    6  0.204341D+01          0.310356          0.714621
 Vib (V=0)    7  0.170887D+01          0.232708          0.535830
 Vib (V=0)    8  0.163691D+01          0.214025          0.492811
 Vib (V=0)    9  0.148778D+01          0.172538          0.397284
 Vib (V=0)   10  0.148270D+01          0.171054          0.393867
 Vib (V=0)   11  0.143231D+01          0.156037          0.359289
 Vib (V=0)   12  0.136889D+01          0.136367          0.313997
 Vib (V=0)   13  0.129893D+01          0.113587          0.261544
 Vib (V=0)   14  0.122563D+01          0.088361          0.203459
 Vib (V=0)   15  0.117557D+01          0.070248          0.161751
 Vib (V=0)   16  0.115429D+01          0.062313          0.143482
 Vib (V=0)   17  0.114933D+01          0.060446          0.139182
 Vib (V=0)   18  0.111663D+01          0.047909          0.110313
 Vib (V=0)   19  0.110758D+01          0.044377          0.102181
 Vib (V=0)   20  0.108176D+01          0.034132          0.078593
 Vib (V=0)   21  0.107285D+01          0.030538          0.070317
 Vib (V=0)   22  0.106553D+01          0.027565          0.063471
 Vib (V=0)   23  0.105959D+01          0.025138          0.057882
 Vib (V=0)   24  0.105353D+01          0.022648          0.052149
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.376492D+07          6.575756         15.141237
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3            3333333333333                             111111111111111111111111111111111                                        
     7            2111111110000                             866655554444444333332221111111000999998888887766665555444433322221111    
     2            1887763308640                             0750420099851108442096098877607618653195411075983197538621950743398317431
     9            5739064174468                             8629847365079339974571799843061431207762285098257768753837414283162965994
 
     X            XXXXXXXXXXXXX                             XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                    X XXX                             XXX X X         X  X X XXXX X XXX     X           XX                     
     X                        X                             XXX X X            X X XXXX   XX                  X                      
     X                        X                             XXX X              X X XX                                                
                                                            X X                X                                                     
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000389    0.000001424   -0.000000038
      2        6           0.000000144   -0.000000742   -0.000000096
      3        6          -0.000001098   -0.000000526    0.000000059
      4        6           0.000000500    0.000000285    0.000000187
      5        6           0.000000395    0.000000199   -0.000000347
      6        6          -0.000000318   -0.000000418    0.000000172
      7        6          -0.000001379   -0.000001039    0.000000095
      8        6           0.000000228    0.000000638    0.000000125
      9        6          -0.000000186    0.000000675   -0.000000349
     10        6          -0.000000081   -0.000000802    0.000000272
     11        6           0.000000188   -0.000000131    0.000000473
     12        8          -0.000000119    0.000000109   -0.000000101
     13        6           0.000000311   -0.000000081    0.000000818
     14        1          -0.000000048    0.000000444   -0.000000092
     15        1          -0.000000006    0.000000374   -0.000000092
     16        1           0.000000269    0.000000444   -0.000000095
     17        1           0.000000103    0.000000767   -0.000000068
     18        1           0.000000203   -0.000000709    0.000000054
     19        1           0.000000188    0.000000207   -0.000000058
     20        1           0.000000102   -0.000000320   -0.000000003
     21        6          -0.000000637   -0.000000792    0.000000022
     22        6          -0.000000766   -0.000000261   -0.000000945
     23        1           0.000000155    0.000000503   -0.000000250
     24        1           0.000000003    0.000000232   -0.000000364
     25        1           0.000000003    0.000000660   -0.000000620
     26        1           0.000000069   -0.000000092    0.000000166
     27        1          -0.000000030    0.000000060    0.000000020
     28        1           0.000000719   -0.000000290    0.000000072
     29        8           0.000000389   -0.000000517    0.000000674
     30        8           0.000000514   -0.000000005    0.000000823
     31        1          -0.000000202   -0.000000296   -0.000000514
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000001424 RMS     0.000000462
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.306812D+03 -0.206540D+02 -0.824719D+01
      2  -0.206540D+02  0.183200D+03 -0.500133D+01
      3  -0.824719D+01 -0.500133D+01  0.120807D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.128868D+02  0.203046D+02  0.348786D+01
      2  -0.872154D+02 -0.290434D+01 -0.294571D+02
      3   0.115042D+03 -0.416130D+02 -0.413585D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.447402D+03 -0.117129D+03 -0.921532D+02
      2  -0.190465D+03  0.971307D+02  0.100233D+02
      3  -0.256936D+03  0.199979D+02  0.821298D+02
      4  -0.718257D+02  0.876018D+02 -0.730429D+01
      5  -0.154599D+02 -0.104458D+01 -0.929316D+02
      6  -0.540471D+01  0.183580D+02 -0.242399D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.408107D+02 -0.790811D+01 -0.109565D+01 -0.412094D+01  0.386800D+01
      2  -0.790811D+01  0.988308D+01 -0.201167D+00  0.386800D+01 -0.139326D+02
      3  -0.109565D+01 -0.201167D+00  0.276671D+01  0.275800D+00  0.150993D+01
                 6             7             8             9            10 
      1   0.275800D+00 -0.221590D+01  0.997699D+00  0.740069D+01  0.266918D+01
      2   0.150993D+01  0.997699D+00  0.173718D+00 -0.138522D+01  0.145414D+01
      3  -0.150045D+00  0.740069D+01 -0.138522D+01 -0.124872D+01 -0.905207D-01
                11            12            13            14            15 
      1   0.145414D+01 -0.905207D-01 -0.177616D+02  0.343390D+01  0.129923D+01
      2   0.104152D+02 -0.164812D+01  0.343390D+01  0.363237D+01 -0.139042D+01
      3  -0.164812D+01  0.194478D+01  0.129923D+01 -0.139042D+01 -0.135965D+01
                16            17            18            19            20 
      1   0.221953D+01 -0.396128D+00  0.399536D+01 -0.416055D+02  0.132379D+02
      2  -0.396128D+00 -0.204847D+01 -0.282352D+01  0.132379D+02 -0.922219D+01
      3   0.399536D+01 -0.282352D+01 -0.241800D+00  0.119281D+01  0.604898D+00
                21            22            23            24            25 
      1   0.119281D+01  0.220557D+02 -0.615738D+01 -0.623219D+00  0.196411D+01
      2   0.604898D+00 -0.615738D+01  0.753173D+01  0.307335D+00 -0.188415D+00
      3  -0.415506D+00 -0.623219D+00  0.307335D+00  0.196395D+01  0.495782D+00
                26            27            28            29            30 
      1  -0.188415D+00  0.495782D+00  0.426031D+02 -0.120305D+02 -0.105271D+01
      2   0.111396D+01  0.457465D+01 -0.120305D+02  0.351980D+01  0.435410D+00
      3   0.457465D+01 -0.124795D+01 -0.105271D+01  0.435410D+00  0.179733D+00
                31            32            33            34            35 
      1   0.430841D+02 -0.720905D+01 -0.295213D+01 -0.852144D+01  0.220836D+01
      2  -0.720905D+01  0.806865D+01  0.256989D+00  0.220836D+01 -0.107392D+01
      3  -0.295213D+01  0.256989D+00  0.800816D-01  0.130371D+01  0.779990D+00
                36            37            38            39            40 
      1   0.130371D+01 -0.464549D+02  0.120427D+02  0.116927D+01 -0.393737D+02
      2   0.779990D+00  0.120427D+02 -0.753657D+01 -0.537832D+00  0.648762D+01
      3  -0.203223D+00  0.116927D+01 -0.537832D+00  0.133559D+00  0.270690D+01
                41            42            43            44            45 
      1   0.648762D+01  0.270690D+01  0.876337D+01 -0.189756D+01 -0.128208D+01
      2  -0.583915D+01 -0.744346D-01 -0.189756D+01  0.125313D+01 -0.692901D+00
      3  -0.744346D-01 -0.154333D+00 -0.128208D+01 -0.692901D+00  0.255446D+00
                46            47            48            49            50 
      1  -0.478128D+00 -0.326716D+01  0.898381D+00 -0.389060D+01  0.452114D+01
      2  -0.326716D+01 -0.523029D+01  0.435250D+00  0.452114D+01 -0.263927D+01
      3   0.898381D+00  0.435250D+00 -0.167891D+01 -0.765950D+00 -0.773313D+00
                51            52            53            54            55 
      1  -0.765950D+00  0.786708D+00 -0.540900D+00 -0.406158D+00  0.428402D+01
      2  -0.773313D+00 -0.540900D+00 -0.766934D-01 -0.423679D+01  0.220939D+01
      3  -0.110190D+01 -0.406158D+00 -0.423679D+01  0.139766D+01 -0.158174D+01
                56            57            58            59            60 
      1   0.220939D+01 -0.158174D+01  0.224992D+01 -0.432718D+01  0.762070D+00
      2   0.101087D+02 -0.842343D-01 -0.432718D+01  0.525291D+00  0.832124D+00
      3  -0.842343D-01  0.138716D+01  0.762070D+00  0.832124D+00  0.111007D+01
                61            62            63            64            65 
      1  -0.665697D+00  0.811465D+00  0.107893D+01 -0.717114D-01 -0.216556D+01
      2   0.811465D+00  0.677230D-01  0.469801D+01 -0.216556D+01 -0.145273D+02
      3   0.107893D+01  0.469801D+01 -0.138579D+01  0.192708D+00  0.136190D+01
                66            67            68            69            70 
      1   0.192708D+00  0.160976D+02 -0.982801D+00 -0.723271D+00 -0.617664D+01
      2   0.136190D+01 -0.982801D+00 -0.719627D+01  0.128081D+01  0.819746D-01
      3  -0.206598D+01 -0.723271D+00  0.128081D+01  0.141861D+01 -0.595043D+01
                71            72            73            74            75 
      1   0.819746D-01 -0.595043D+01 -0.617331D+02  0.618086D+01  0.172576D+01
      2   0.302034D+01  0.267862D+01  0.618086D+01 -0.541300D+01  0.355889D+00
      3   0.267862D+01  0.654243D+00  0.172576D+01  0.355889D+00 -0.147113D+01
                76            77            78            79            80 
      1   0.839183D+01 -0.386981D+01 -0.997760D+00  0.178610D+01 -0.111207D+01
      2  -0.386981D+01  0.176774D+02 -0.132240D+01 -0.111207D+01 -0.835768D+00
      3  -0.997760D+00 -0.132240D+01 -0.342685D+00 -0.668703D+01  0.739834D+00
                81            82            83            84            85 
      1  -0.668703D+01  0.514825D+02 -0.125018D+02 -0.134967D+01 -0.276735D+02
      2   0.739834D+00 -0.125018D+02  0.115611D+02 -0.534548D+00  0.350163D+01
      3   0.112984D+01 -0.134967D+01 -0.534548D+00  0.402962D+00  0.461002D+00
                86            87            88            89            90 
      1   0.350163D+01  0.461002D+00 -0.468706D+01  0.151525D+00 -0.596350D+00
      2  -0.766808D+01  0.851912D-01  0.151525D+00 -0.905033D+00 -0.344944D+01
      3   0.851912D-01 -0.186903D+01 -0.596350D+00 -0.344944D+01  0.148018D+01
                91            92            93            94            95 
      1   0.127576D+02 -0.168546D+01 -0.114412D+01  0.702446D+01  0.234832D+01
      2  -0.168546D+01  0.231949D+01  0.921592D-01  0.234832D+01 -0.288611D+01
      3  -0.114412D+01  0.921592D-01  0.201105D+01 -0.737762D+00 -0.417421D+00
                96            97            98            99           100 
      1  -0.737762D+00  0.770467D+01  0.661535D+00  0.825328D+01 -0.111865D+02
      2  -0.417421D+00  0.661535D+00  0.206010D+00  0.257724D+01  0.448828D+01
      3   0.350588D+01  0.825328D+01  0.257724D+01 -0.465995D+00  0.251815D-01
               101           102           103           104           105 
      1   0.448828D+01  0.251815D-01 -0.210774D+01  0.364091D+01 -0.290342D+00
      2  -0.449516D+01  0.580651D-01  0.364091D+01  0.927086D+00 -0.463720D+00
      3   0.580651D-01  0.224792D+00 -0.290342D+00 -0.463720D+00 -0.100067D+01
               106           107           108           109           110 
      1   0.138864D+01 -0.712506D+00  0.965413D-01  0.181693D+01 -0.483833D+01
      2  -0.712506D+00  0.509754D+00  0.801689D+00 -0.483833D+01  0.213164D+01
      3   0.965413D-01  0.801689D+00 -0.871464D-01  0.270096D+00  0.787395D+00
               111           112           113           114           115 
      1   0.270096D+00 -0.389819D+01 -0.253082D+01  0.888828D+00 -0.294461D+00
      2   0.787395D+00 -0.253082D+01  0.196562D+01  0.108190D+01  0.999807D+00
      3  -0.897140D-01  0.888828D+00  0.108190D+01  0.607960D+01 -0.275794D+01
               116           117           118           119           120 
      1   0.999807D+00 -0.275794D+01  0.611529D+01 -0.332586D+01 -0.260715D+00
      2   0.568061D+00  0.478183D+01 -0.332586D+01  0.290799D+01  0.432873D-02
      3   0.478183D+01 -0.113529D+01 -0.260715D+00  0.432873D-02  0.255976D+00
               121           122           123           124           125 
      1  -0.480685D+01  0.477227D+01 -0.150005D+00 -0.296496D+00 -0.224250D+00
      2   0.477227D+01 -0.575926D+01  0.910198D-01 -0.224250D+00  0.266606D+00
      3  -0.150005D+00  0.910198D-01 -0.550817D+00 -0.429915D+00 -0.939235D-01
               126           127           128           129           130 
      1  -0.429915D+00  0.182276D+01  0.286393D+01 -0.394865D+00  0.352076D+01
      2  -0.939235D-01  0.286393D+01  0.230245D+01 -0.444968D+00  0.387732D+01
      3   0.139822D+00 -0.394865D+00 -0.444968D+00  0.421492D+00 -0.593379D+00
               131           132           133           134           135 
      1   0.387732D+01 -0.593379D+00 -0.522698D+00 -0.639989D+00  0.349982D+00
      2   0.789034D+01 -0.102366D+01 -0.639989D+00 -0.101430D+01  0.250623D+00
      3  -0.102366D+01  0.100957D+01  0.349982D+00  0.250623D+00 -0.190874D+00
               136           137           138           139           140 
      1  -0.549923D+00 -0.165940D+01  0.224816D+00 -0.327083D+00 -0.112989D+01
      2  -0.165940D+01 -0.237955D+01  0.396691D+00 -0.112989D+01 -0.958447D+01
      3   0.224816D+00  0.396691D+00 -0.253890D+00  0.109061D+00  0.107016D+01
               141           142           143           144           145 
      1   0.109061D+00  0.126712D+00  0.305935D+00  0.433248D-01  0.980781D+00
      2   0.107016D+01  0.305935D+00  0.121493D+01 -0.255164D+00  0.181476D+01
      3  -0.922626D+00  0.433248D-01 -0.255164D+00  0.136154D+00 -0.248607D+00
               146           147           148           149           150 
      1   0.181476D+01 -0.248607D+00  0.848750D+00  0.174116D+01 -0.143966D+00
      2   0.276859D+01 -0.418752D+00  0.174116D+01  0.110005D+02 -0.110487D+01
      3  -0.418752D+00  0.249011D+00 -0.143966D+00 -0.110487D+01  0.958405D+00
               151           152           153           154           155 
      1   0.609459D+00 -0.449381D+00  0.190740D+00 -0.570671D+01  0.361785D+01
      2  -0.449381D+00 -0.140283D+01  0.247600D+00  0.361785D+01 -0.370297D+01
      3   0.190740D+00  0.247600D+00 -0.121392D+00  0.276418D+00 -0.490648D-01
               156           157           158           159           160 
      1   0.276418D+00  0.379014D+01 -0.485715D+01  0.152674D+00  0.748344D-01
      2  -0.490648D-01 -0.485715D+01  0.654998D+01  0.143015D-01  0.309876D+00
      3  -0.410524D+00  0.152674D+00  0.143015D-01  0.692189D+00  0.348012D+00
               161           162           163           164           165 
      1   0.309876D+00  0.348012D+00 -0.183894D+01 -0.211302D+01  0.350870D+00
      2  -0.300075D+00  0.300290D+00 -0.211302D+01 -0.921176D+00  0.270911D+00
      3   0.300290D+00 -0.174275D+00  0.350870D+00  0.270911D+00 -0.377481D+00
               166           167           168           169           170 
      1  -0.281558D+01 -0.293125D+01  0.494769D+00 -0.230847D+00  0.330999D+00
      2  -0.293125D+01 -0.568106D+01  0.802037D+00  0.330999D+00  0.429392D+00
      3   0.494769D+00  0.802037D+00 -0.919834D+00 -0.396284D+00 -0.212579D+00
               171           172           173           174           175 
      1  -0.396284D+00 -0.171550D+01  0.236777D+01  0.207865D+00  0.461029D+01
      2  -0.212579D+00  0.236777D+01 -0.172954D+01 -0.263455D+00 -0.250308D+01
      3  -0.708834D-02  0.207865D+00 -0.263455D+00 -0.903640D+00 -0.614198D+00
               176           177           178           179           180 
      1  -0.250308D+01 -0.614198D+00 -0.867287D-01 -0.275182D+00 -0.127145D+01
      2   0.508143D+01  0.404859D+00 -0.275182D+00  0.277672D+00  0.564542D+00
      3   0.404859D+00  0.101055D+01 -0.127145D+01  0.564542D+00  0.382071D+00
               181           182           183           184           185 
      1   0.110218D+02  0.161238D+01 -0.192255D+01 -0.226531D+01 -0.185380D+01
      2   0.161238D+01 -0.143593D+01 -0.535808D+00 -0.185380D+01  0.244720D+01
      3  -0.192255D+01 -0.535808D+00 -0.294123D+01  0.117145D+01 -0.356103D+00
               186           187           188           189           190 
      1   0.117145D+01  0.401598D+01  0.532223D+00 -0.458462D+01  0.851545D+01
      2  -0.356103D+00  0.532223D+00  0.112527D+00 -0.325740D+01 -0.741874D+00
      3  -0.516139D+01 -0.458462D+01 -0.325740D+01 -0.871795D+00  0.360975D+01
               191           192           193           194           195 
      1  -0.741874D+00  0.360975D+01 -0.430500D+01 -0.926504D+00 -0.290191D+01
      2  -0.303353D+00 -0.102510D+01 -0.926504D+00  0.469188D-02  0.105744D-01
      3  -0.102510D+01  0.168855D+01 -0.290191D+01  0.105744D-01 -0.532672D+01
               196           197           198           199           200 
      1   0.973763D+01 -0.169127D+01  0.727842D+00  0.147057D+02  0.197154D+01
      2  -0.169127D+01  0.227305D+00 -0.287380D+01  0.197154D+01  0.943800D+00
      3   0.727842D+00 -0.287380D+01  0.871969D+00 -0.135656D+01 -0.201382D+00
               201           202           203           204           205 
      1  -0.135656D+01  0.576288D+01  0.170237D+01 -0.527029D+00 -0.174101D+01
      2  -0.201382D+00  0.170237D+01  0.136014D+01 -0.298608D+00 -0.229466D+00
      3   0.118751D+01 -0.527029D+00 -0.298608D+00  0.299370D+00  0.181139D+01
               206           207           208           209           210 
      1  -0.229466D+00  0.181139D+01 -0.109266D+01  0.160245D+00 -0.760058D+00
      2  -0.270550D+00 -0.178523D+00  0.160245D+00 -0.681172D+00 -0.130792D+00
      3  -0.178523D+00 -0.415292D+00 -0.760058D+00 -0.130792D+00 -0.577036D+00
               211           212           213           214           215 
      1  -0.199533D+01  0.237081D+01  0.153285D+01 -0.381402D+01  0.180177D+01
      2   0.237081D+01 -0.383200D+01 -0.276142D+01  0.180177D+01 -0.273301D+01
      3   0.153285D+01 -0.276142D+01 -0.313499D+01  0.278790D+01 -0.328077D+01
               216           217           218           219           220 
      1   0.278790D+01  0.294623D+00 -0.847120D-01  0.135998D+01 -0.170173D+01
      2  -0.328077D+01 -0.847120D-01 -0.244722D+00 -0.444167D+00  0.212899D+01
      3  -0.451605D+01  0.135998D+01 -0.444167D+00  0.798124D-01 -0.152884D+01
               221           222           223           224           225 
      1   0.212899D+01 -0.152884D+01  0.552780D+01 -0.229036D+01  0.340716D+01
      2  -0.245783D+01  0.181632D+01 -0.229036D+01  0.221957D+01 -0.286538D+01
      3   0.181632D+01 -0.251924D+01  0.340716D+01 -0.286538D+01  0.529964D+01
               226           227           228           229           230 
      1   0.471177D-01  0.426457D+00  0.105328D+01  0.162408D+01  0.334424D+00
      2   0.426457D+00  0.567194D+00  0.415980D+00  0.334424D+00  0.106877D+01
      3   0.105328D+01  0.415980D+00  0.249729D+01 -0.394994D+00  0.159562D+01
               231           232           233           234           235 
      1  -0.394994D+00  0.132897D+01  0.173052D+00  0.192601D+00  0.297445D-01
      2   0.159562D+01  0.173052D+00  0.124920D+01  0.175587D+01 -0.671291D+00
      3   0.371996D+01  0.192601D+00  0.175587D+01  0.791870D+01 -0.111428D+00
               236           237           238           239           240 
      1  -0.671291D+00 -0.111428D+00 -0.224095D+01 -0.335075D-01  0.427183D+00
      2   0.112040D+01 -0.308625D+00 -0.335075D-01 -0.514886D+01  0.113879D+01
      3  -0.308625D+00  0.108099D+01  0.427183D+00  0.113879D+01 -0.137973D+01
               241           242           243           244           245 
      1  -0.699084D+00 -0.233842D+00  0.529890D+00 -0.164924D+02 -0.199078D+01
      2  -0.233842D+00  0.361907D+00 -0.417352D+00 -0.199078D+01 -0.100246D+01
      3   0.529890D+00 -0.417352D+00  0.237623D+00  0.424195D+01  0.609484D+00
               246           247           248           249           250 
      1   0.424195D+01 -0.184783D+01 -0.142023D+01  0.242550D+00  0.993288D+00
      2   0.609484D+00 -0.142023D+01 -0.571693D+00  0.492754D+00  0.147245D+00
      3  -0.244612D+01  0.242550D+00  0.492754D+00  0.274559D+00 -0.157126D+01
               251           252           253           254           255 
      1   0.147245D+00 -0.157126D+01 -0.123008D+02  0.268733D+01 -0.490457D+01
      2  -0.406182D-01  0.626558D-01  0.268733D+01 -0.136599D+01  0.863199D+00
      3   0.626558D-01  0.101477D+01 -0.490457D+01  0.863199D+00 -0.307284D+01
               256           257           258           259           260 
      1   0.115096D+02 -0.188487D+01  0.330674D+01 -0.160522D+02  0.119396D+01
      2  -0.188487D+01  0.388520D+01 -0.226093D+01  0.119396D+01 -0.202588D+01
      3   0.330674D+01 -0.226093D+01  0.399708D+01 -0.673984D+01  0.274681D+01
               261           262           263           264           265 
      1  -0.673984D+01  0.253765D+01 -0.439113D+00  0.101752D+01 -0.861261D+01
      2   0.274681D+01 -0.439113D+00  0.116660D+01  0.132810D+01 -0.605638D+00
      3  -0.775099D+01  0.101752D+01  0.132810D+01  0.179313D+01  0.117136D+01
               266           267           268           269           270 
      1  -0.605638D+00  0.117136D+01  0.165344D+01  0.263078D+01  0.294881D+01
      2  -0.338615D+01  0.114027D+01  0.263078D+01  0.306929D+01  0.208110D+01
      3   0.114027D+01  0.168761D+01  0.294881D+01  0.208110D+01  0.480953D+01
               271           272           273           274           275 
      1  -0.126824D+01 -0.171257D+01 -0.154289D+01 -0.825604D+00 -0.150590D+01
      2  -0.171257D+01 -0.152462D+01 -0.119164D+01 -0.150590D+01 -0.303358D+01
      3  -0.154289D+01 -0.119164D+01 -0.160052D+01 -0.105771D+01 -0.168370D+01
               276           277           278           279 
      1  -0.105771D+01 -0.267693D+01 -0.245689D+01 -0.328859D+01
      2  -0.168370D+01 -0.245689D+01 -0.361394D+01 -0.361857D+01
      3  -0.191382D+01 -0.328859D+01 -0.361857D+01 -0.566395D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.490441D+00  0.536721D+01 -0.212099D+01  0.521589D+01 -0.153104D+01
      2  -0.138624D+02  0.476413D+01 -0.189351D+01  0.808480D+01 -0.465981D+01
      3   0.101195D+02  0.180097D+02 -0.135355D+01  0.467598D+02 -0.550132D+01
                 6             7             8             9            10 
      1   0.267777D+01 -0.865443D+00  0.156333D+02 -0.154698D+01 -0.608538D+00
      2  -0.484165D+00  0.271790D+01  0.285468D+01 -0.204058D+01 -0.142112D+01
      3  -0.295046D+01 -0.519834D+01 -0.273804D+01  0.512130D+01 -0.258362D+02
                11            12            13            14            15 
      1   0.393161D+01  0.398781D+01 -0.731867D+00 -0.134313D+00 -0.196001D+01
      2   0.165296D+01  0.647390D+01  0.237750D+01 -0.212074D+01 -0.286593D+01
      3   0.589105D+01 -0.120617D+00 -0.263302D+02 -0.109531D+02  0.326222D+01
                16            17            18            19            20 
      1   0.126093D+02  0.557254D+01 -0.282347D+01 -0.244774D+01 -0.441268D+01
      2  -0.548863D+01 -0.124141D+02  0.254471D+00  0.125297D+02 -0.670122D+01
      3   0.460538D+01  0.103173D+01 -0.615585D+00 -0.366930D+02 -0.290027D+02
                21            22            23            24            25 
      1   0.104735D+01 -0.124905D+01  0.278854D+01 -0.281196D+01 -0.808288D+01
      2   0.332941D+01 -0.880025D+01  0.621323D+01  0.286030D+01 -0.175189D+02
      3   0.442528D+01  0.838356D+01  0.110946D+02 -0.264581D+01  0.442953D+01
                26            27            28            29            30 
      1   0.296273D+01  0.884398D+00  0.105797D+01  0.497030D+01 -0.884974D+00
      2   0.194674D+02 -0.204262D+01 -0.184311D+02  0.922291D+01 -0.360616D+01
      3  -0.141548D+01 -0.959314D+01  0.320751D+02  0.382280D+02 -0.586618D+01
                31            32            33            34            35 
      1   0.531721D+01 -0.111052D+00  0.321066D+00 -0.551810D+01  0.670173D+01
      2  -0.611422D+01 -0.234339D+01  0.107052D+01 -0.200032D+02  0.162903D+01
      3   0.765637D+02 -0.316610D+02 -0.277241D+01 -0.842361D+01 -0.164741D+01
                36            37            38            39            40 
      1   0.122721D+00 -0.158661D+01  0.353872D+01 -0.498943D+00  0.340907D+01
      2   0.158232D+01  0.160060D+02  0.254938D+01  0.118510D+00  0.114355D+02
      3   0.551708D+00 -0.286696D+02  0.482716D+02 -0.507369D+01  0.248572D+02
                41            42            43            44            45 
      1  -0.381238D+01 -0.325775D+00 -0.421194D+01  0.805830D+01 -0.655485D+00
      2  -0.491583D+01 -0.227281D+00 -0.236202D+02  0.266167D+01  0.127755D+01
      3  -0.306600D+02  0.144679D+01  0.343537D+01 -0.258905D+01  0.995647D+00
                46            47            48            49            50 
      1   0.274665D+01 -0.549133D+01 -0.328746D+01 -0.128104D+01  0.242808D+01
      2  -0.196042D+01 -0.488719D+01 -0.411378D+01 -0.471993D+00  0.207637D+01
      3   0.441940D+02 -0.370087D+02  0.327954D+01 -0.114886D+02  0.357665D+02
                51            52            53            54            55 
      1  -0.193132D+01 -0.745779D+01 -0.357550D+01  0.190132D+01  0.177223D+01
      2  -0.195473D+01 -0.240471D+02 -0.353077D+01  0.410131D+01  0.698073D+01
      3  -0.205419D+01  0.165630D+01  0.211354D+01  0.114005D+02  0.356814D+02
                56            57            58            59            60 
      1  -0.143627D+01 -0.385919D+01 -0.340162D+01  0.196656D+01 -0.279653D+01
      2  -0.610469D+01  0.113170D+01 -0.491814D+01  0.471534D+01 -0.402660D+00
      3  -0.344199D+02  0.167214D+01 -0.975658D+01  0.274814D+02 -0.148799D+01
                61            62            63            64            65 
      1  -0.886132D+01 -0.592022D+01  0.389731D+01  0.629277D-01 -0.222218D+01
      2  -0.185890D+02 -0.903061D-01  0.159775D+01 -0.631516D+01  0.124625D+01
      3  -0.218223D+00  0.165820D+01  0.501959D+01 -0.180998D+02  0.611892D+01
                66            67            68            69            70 
      1   0.489057D+01  0.389579D+01 -0.198308D+01 -0.839327D+00  0.154771D+02
      2   0.263230D+01 -0.101616D+02 -0.122782D+01 -0.247839D+01 -0.175350D+01
      3  -0.191466D+01  0.107141D+02 -0.939739D+00 -0.183628D+01 -0.499805D+01
                71            72            73            74            75 
      1   0.610096D+01 -0.277311D+01 -0.855957D+01  0.216591D+01 -0.650374D+00
      2  -0.957285D+01  0.277361D+01  0.235147D+02 -0.162030D+01 -0.355703D+00
      3  -0.613032D+00 -0.751537D+01 -0.577825D+02  0.162874D+02 -0.690993D-01
                76            77            78            79            80 
      1   0.153407D+01  0.529979D+01 -0.323787D+00  0.279007D+01  0.151640D+02
      2   0.449438D+00  0.720591D+00  0.218342D+01 -0.107587D+02  0.268146D+01
      3   0.425758D+02 -0.125478D+02  0.154385D+01 -0.924635D+00 -0.215754D+01
                81            82            83            84            85 
      1  -0.296653D+01  0.231434D+01 -0.128647D+01  0.121459D+01 -0.210151D+01
      2   0.165477D+01 -0.243890D+02  0.629221D+00 -0.281083D+00  0.120340D+02
      3  -0.480201D+01  0.311718D+02 -0.454328D+02  0.526378D+01 -0.181072D+02
                86            87            88            89            90 
      1  -0.942634D+00 -0.802526D+00 -0.528950D+01  0.387225D+01 -0.424508D+00
      2   0.373394D+00  0.215786D+01 -0.196653D+02  0.103849D+02 -0.449642D+00
      3   0.626049D+01 -0.107349D+01 -0.126490D+01  0.247930D+01 -0.208353D+01
                91            92            93            94            95 
      1   0.470948D+01  0.209152D+01  0.886309D+00  0.586427D+01 -0.189204D+01
      2  -0.785731D+01  0.476707D+00 -0.140604D+01 -0.636042D+01 -0.948003D+00
      3   0.178831D+02  0.121736D+01  0.112139D+01  0.343335D+02 -0.169583D+02
                96            97            98            99           100 
      1  -0.535655D+01  0.433491D+01  0.197471D+01  0.176467D+01  0.118530D+01
      2  -0.103436D+02 -0.444210D+02 -0.920505D+01 -0.371688D+01  0.605264D+01
      3  -0.178393D+01  0.124949D+02 -0.503385D+00  0.180880D+02 -0.243540D+01
               101           102           103           104           105 
      1  -0.538062D+01  0.273039D+01 -0.310311D-01 -0.120515D+01 -0.505222D+01
      2  -0.382988D+01  0.146694D+02 -0.114322D+01 -0.189767D+01 -0.590894D+01
      3  -0.436459D+02  0.206868D+01 -0.571280D+01 -0.669174D+01  0.167542D+01
               106           107           108           109           110 
      1   0.188583D+01 -0.190543D+01  0.141775D+00  0.122481D+01  0.204512D+01
      2  -0.683167D+01  0.299911D+01 -0.893803D+00  0.334523D+00  0.506547D+01
      3   0.767692D+00  0.464421D+01 -0.396689D+01  0.368901D+02  0.623843D+01
               111           112           113           114           115 
      1  -0.111932D+01  0.141236D+01 -0.996889D+00  0.613029D+01 -0.135697D+02
      2  -0.120461D+01  0.612556D+01  0.486476D+01  0.380120D+02 -0.199106D+02
      3  -0.716664D+01  0.259622D+02 -0.301233D+02 -0.700406D+01 -0.649631D+01
               116           117           118           119           120 
      1   0.924665D+01 -0.235532D+01 -0.132580D+01  0.486133D+00  0.166775D+01
      2   0.306494D+02 -0.753542D+01 -0.214856D+01  0.630238D+00  0.155669D+01
      3  -0.483357D+01 -0.304891D+02 -0.462322D+01 -0.448984D+01  0.710635D+00
               121           122           123           124           125 
      1   0.543179D-01 -0.213629D+00 -0.274767D+01 -0.252271D+01  0.999589D+00
      2   0.210341D+00 -0.282005D+00 -0.288900D+01 -0.242408D+01  0.200611D-01
      3  -0.529772D+01  0.132291D+02 -0.180155D+00  0.157609D+01 -0.836830D+00
               126           127           128           129           130 
      1   0.386861D+00  0.148473D+00  0.205554D+00 -0.143700D+01  0.286706D+00
      2   0.647244D+00 -0.899983D+00 -0.105324D+01  0.174491D+01 -0.113968D+01
      3   0.130918D+01 -0.429186D+01 -0.383631D+01  0.749709D+00 -0.293535D+01
               131           132           133           134           135 
      1  -0.175629D+00 -0.367202D+01  0.599050D-01  0.154652D+01  0.382508D+00
      2  -0.275998D+01  0.368877D+01 -0.138414D+01  0.674481D-01 -0.396020D+00
      3  -0.189754D+02  0.211679D+01  0.104955D+01  0.219002D+01  0.583573D-01
               136           137           138           139           140 
      1   0.307946D+00  0.140012D+00 -0.144978D+01 -0.463875D-01 -0.505790D+00
      2   0.853235D+00  0.969494D+00  0.108495D+00  0.516539D+00  0.185614D+01
      3   0.807515D+01  0.601044D+01 -0.128400D+01  0.577666D+01  0.194733D+02
               141           142           143           144           145 
      1  -0.419107D+01  0.579109D+00  0.279602D+01  0.119334D+00  0.103889D+01
      2  -0.453384D+00  0.635652D-01 -0.606543D-01 -0.145879D+00  0.488970D+00
      3  -0.226572D+01 -0.153987D+01 -0.281394D+01 -0.232192D+00  0.565780D+01
               146           147           148           149           150 
      1   0.109487D+01 -0.174657D+01  0.757960D+00  0.288842D+01 -0.516431D+01
      2   0.356798D-01  0.848307D+00  0.210309D+00 -0.151118D+00  0.122076D+01
      3   0.322357D+01 -0.875641D+00  0.521766D+01  0.414712D+01 -0.627314D+00
               151           152           153           154           155 
      1   0.134095D+01  0.194552D+01  0.315401D+00  0.130839D+00 -0.517769D+00
      2  -0.127734D+01  0.107707D+01 -0.648783D+00 -0.164806D+00 -0.232738D+00
      3  -0.293552D+00 -0.117403D+01 -0.677580D+00 -0.102285D+02  0.145326D+01
               156           157           158           159           160 
      1   0.250080D+01 -0.179520D+01  0.161390D+01 -0.339307D+01 -0.271935D+01
      2   0.179343D+01 -0.729862D+00  0.468709D+00 -0.260352D+01 -0.203628D+01
      3   0.517990D+00  0.336012D+01  0.625127D+00  0.288303D+00  0.141308D+01
               161           162           163           164           165 
      1   0.777461D+00  0.652471D+00 -0.722700D+00  0.553110D-01 -0.143905D+01
      2  -0.912865D-01  0.313165D+00  0.425407D+00  0.485574D+00  0.234082D+00
      3   0.300537D+00  0.119653D+01  0.131616D+01  0.106610D+01 -0.118976D+00
               166           167           168           169           170 
      1  -0.715864D+00 -0.202836D+01 -0.323247D+01 -0.137664D+01  0.204751D+01
      2   0.999903D+00 -0.904815D-01  0.153985D+01 -0.867115D+00 -0.102650D+01
      3   0.452343D+01 -0.453168D+01  0.305393D+00 -0.165415D+01  0.297293D+00
               171           172           173           174           175 
      1   0.107770D+00  0.105228D+01 -0.802993D+00  0.840861D+00 -0.239437D+00
      2   0.740170D+00 -0.144642D+00 -0.434775D+00  0.380478D+01  0.264892D+00
      3   0.565315D+00  0.885164D+01 -0.687946D+01 -0.976621D+00 -0.296458D+01
               176           177           178           179           180 
      1   0.300853D+01 -0.231056D+01  0.103711D+00  0.149211D+01  0.303635D+00
      2   0.473994D+00 -0.368396D+01  0.255259D+01 -0.130660D+01 -0.695291D+00
      3   0.186809D+02  0.430068D+00 -0.179014D+01  0.118114D+01  0.988271D+00
               181           182           183           184           185 
      1   0.287594D+01 -0.570811D+01 -0.205573D+01 -0.331608D+01  0.727833D+01
      2  -0.140971D+02 -0.205442D+01  0.177471D+02 -0.518232D+01  0.571457D+01
      3  -0.129747D+01 -0.126082D+02  0.175589D+01 -0.125869D+02  0.151182D+02
               186           187           188           189           190 
      1  -0.518797D+01  0.113624D+01 -0.276721D+00 -0.947018D+01  0.144073D+00
      2   0.174926D+02  0.147578D+02  0.111225D+02  0.104458D+02  0.106944D+02
      3   0.153043D+01  0.844491D+01 -0.257364D+00 -0.134269D+02 -0.726247D+01
               191           192           193           194           195 
      1  -0.775114D+01 -0.378711D+01 -0.843981D+01  0.199598D+01 -0.339911D+00
      2   0.534471D+01  0.341052D+01  0.240748D+02  0.148346D+01  0.202587D+02
      3  -0.620278D+01 -0.611807D+01 -0.713280D+01  0.378140D-01  0.238972D+01
               196           197           198           199           200 
      1   0.281556D+01 -0.149063D+01  0.574834D+00 -0.159330D+01 -0.855475D+00
      2  -0.107093D+02  0.980712D+01 -0.139238D+02 -0.425881D+01 -0.857623D+00
      3  -0.151030D+01  0.180167D+02 -0.128238D+02 -0.224177D+02 -0.109956D+02
               201           202           203           204           205 
      1   0.345122D+00 -0.818310D+00 -0.691994D+00 -0.707163D+00  0.179205D+01
      2   0.913929D+01 -0.184042D+01 -0.127402D+01  0.220369D+01  0.861447D+01
      3   0.241319D+01 -0.130033D+02 -0.935171D+01  0.213718D+01  0.269029D+01
               206           207           208           209           210 
      1   0.224471D+00 -0.794633D-01  0.653782D+00  0.587563D-02 -0.122550D+01
      2  -0.101892D+01 -0.214910D+01 -0.583751D+01 -0.113169D+01 -0.270627D+01
      3   0.222060D+01  0.417971D+00  0.156729D+01  0.297717D+01  0.169135D+01
               211           212           213           214           215 
      1   0.680944D+00  0.142220D+00 -0.352073D+01  0.266255D+01  0.153866D+00
      2   0.571896D+01 -0.143591D+02 -0.179203D+02  0.112709D+02 -0.187538D+02
      3  -0.114469D+02  0.277363D+02  0.160311D+02 -0.746583D+01  0.184199D+02
               216           217           218           219           220 
      1  -0.443016D+01  0.289381D+00 -0.220636D+00 -0.603529D-01 -0.191045D+01
      2  -0.246335D+02  0.916899D+01 -0.273454D+01  0.123436D+01 -0.794384D+01
      3   0.196313D+02  0.194278D+01 -0.302687D+00  0.184607D+01 -0.108393D+02
               221           222           223           224           225 
      1   0.220328D+01 -0.401133D+01  0.496778D+01 -0.122239D+01  0.715385D+01
      2   0.106643D+02 -0.154172D+02  0.161784D+02 -0.177674D+02  0.314484D+02
      3   0.190655D+02 -0.108629D+02  0.975727D+01 -0.157914D+02  0.174429D+02
               226           227           228           229           230 
      1   0.133609D+01  0.264450D+01  0.117371D+01  0.175745D+01  0.371986D+01
      2  -0.591152D+01 -0.229330D+01 -0.992625D+01 -0.227906D+01 -0.642832D+01
      3   0.165538D+01  0.206407D+01  0.371099D-01  0.316078D+01  0.330182D+01
               231           232           233           234           235 
      1   0.312122D+01  0.650036D+00  0.589083D+01  0.686230D+01 -0.286561D+01
      2  -0.126668D+02 -0.549652D+01 -0.733415D+01 -0.288014D+02 -0.141485D+01
      3   0.423211D+01  0.200950D-01  0.374916D+01  0.425596D+01 -0.697440D+01
               236           237           238           239           240 
      1   0.295795D+01  0.113271D+01  0.127140D+01 -0.115739D+02 -0.142105D+01
      2   0.264612D+01 -0.285907D+01  0.250667D+01 -0.586745D+01  0.394787D+01
      3   0.578919D+01 -0.727417D+00  0.452156D+01 -0.213319D+02  0.373662D+01
               241           242           243           244           245 
      1   0.434232D+00  0.878556D+00 -0.151184D+01 -0.198952D+01 -0.276030D+01
      2  -0.159113D+01  0.140364D+01 -0.178487D+01  0.120203D+02  0.404764D+00
      3   0.687633D+00  0.702609D+00 -0.243778D+01 -0.267864D+01 -0.706729D+01
               246           247           248           249           250 
      1  -0.263401D+00 -0.240849D+01 -0.165981D+01  0.118268D-01 -0.599772D+00
      2   0.607687D+01  0.169316D+01 -0.568059D-01 -0.116275D+01  0.270059D+01
      3   0.181678D+01 -0.376731D+01 -0.345450D+01  0.148209D+01 -0.150717D+01
               251           252           253           254           255 
      1   0.857447D+00  0.807071D+00 -0.518259D+01  0.559093D+01  0.258823D+01
      2  -0.564000D+00 -0.155383D+01  0.956337D+01 -0.230296D+01  0.120332D+02
      3   0.123600D+01  0.778493D+00  0.586747D+01 -0.101777D+02  0.367275D+01
               256           257           258           259           260 
      1   0.546194D+01 -0.617872D+01 -0.155982D+01 -0.256534D+01  0.968385D+01
      2  -0.203182D+02  0.692598D+01 -0.157468D+02  0.259816D+02 -0.967675D+01
      3   0.300612D+01  0.185358D+02 -0.836855D+01 -0.110497D+02 -0.181922D+02
               261           262           263           264           265 
      1  -0.560591D+00  0.457430D+01  0.114497D+01  0.229762D+01 -0.326977D+01
      2   0.340212D+02 -0.730088D+01 -0.618074D+01 -0.434208D+01 -0.176501D+01
      3   0.824126D+01  0.674748D+00  0.260936D+01  0.432245D+01 -0.212603D+01
               266           267           268           269           270 
      1   0.335987D+01 -0.624693D+01  0.130358D+01  0.149088D+01  0.674298D+01
      2  -0.293167D+01 -0.583869D+01 -0.891251D+01 -0.669827D+01 -0.158809D+02
      3  -0.173006D+02  0.438951D+01  0.815413D+01  0.843175D+01  0.516507D+01
               271           272           273           274           275 
      1  -0.253291D+00  0.409468D+00 -0.141807D+01 -0.104093D+01 -0.556619D+00
      2   0.365976D+01  0.379531D+01  0.501105D+01  0.246588D+01  0.576334D+01
      3  -0.400621D+01 -0.498434D+01 -0.319858D+01 -0.281504D+01 -0.989881D+01
               276           277           278           279 
      1  -0.275986D+01 -0.162897D+01 -0.824462D-01 -0.602458D+01
      2   0.641190D+01  0.906293D+01  0.126127D+02  0.205545D+02
      3  -0.520425D+01 -0.684742D+01 -0.131093D+02 -0.125635D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.122779D+03 -0.384980D+02 -0.473506D+01  0.132274D+02 -0.233120D+02
      2  -0.662402D+02  0.251862D+02  0.729277D+00 -0.138564D+02  0.258738D+02
      3  -0.565384D+02  0.133118D+02  0.400578D+01  0.628960D+00 -0.256183D+01
      4  -0.213162D+02  0.304401D+02 -0.208853D+01 -0.211785D+02 -0.617288D+02
      5  -0.796243D+00 -0.136022D+01 -0.118252D+01  0.788680D+01  0.442263D+01
      6  -0.753847D+00  0.996300D+00  0.313754D+01  0.558243D+01 -0.344994D+01
                 6             7             8             9            10 
      1   0.351883D+01 -0.222472D+01  0.748188D+01  0.275517D+02 -0.310313D+01
      2  -0.432224D+01  0.312430D+01 -0.664429D+01 -0.249821D+02  0.440689D+00
      3   0.803405D+00 -0.899578D+00 -0.837595D+00 -0.256962D+01  0.266244D+01
      4   0.853521D+01  0.973101D+01  0.216666D+01 -0.343458D+01  0.308955D+02
      5  -0.147971D+01  0.536276D+02 -0.927329D+01 -0.384575D+01  0.467456D+01
      6  -0.297085D+01  0.152689D-01  0.293687D+01  0.182897D+01 -0.522680D+01
                11            12            13            14            15 
      1   0.567326D+02 -0.405533D+01 -0.862331D+02  0.309536D+02  0.320567D+01
      2  -0.381638D+02  0.117567D+01  0.568571D+02 -0.260318D+02 -0.174287D+01
      3  -0.185688D+02  0.287965D+01  0.293760D+02 -0.492184D+01 -0.146280D+01
      4   0.379680D+02 -0.807830D+01  0.310069D+02  0.278058D+02 -0.809666D+01
      5  -0.889307D+01  0.143714D+02  0.540924D+01 -0.593190D+01 -0.801568D+01
      6   0.367585D+01 -0.809841D+01 -0.585148D+01  0.267977D+01  0.492968D+01
                16            17            18            19            20 
      1   0.137322D+02 -0.116736D+02  0.143286D+01 -0.112005D+03  0.217029D+02
      2  -0.118211D+02  0.907556D+01 -0.655273D+01  0.509720D+02 -0.111315D+02
      3  -0.191105D+01  0.259802D+01  0.511987D+01  0.610331D+02 -0.105715D+02
      4  -0.691341D+01 -0.932937D+01 -0.169474D+02  0.293957D+02 -0.354560D+02
      5   0.272531D+02 -0.184764D+02  0.272745D+01  0.902417D+01  0.566552D+01
      6  -0.172227D+02  0.107579D+02  0.246193D+01  0.527250D+01  0.110837D+01
                21            22            23            24            25 
      1   0.598589D+01  0.908713D+02 -0.138810D+02 -0.709006D+01  0.185464D+01
      2  -0.278234D+01 -0.570814D+02 -0.431235D+01  0.604238D+01  0.152237D+01
      3  -0.320355D+01 -0.337899D+02  0.181933D+02  0.104768D+01 -0.337701D+01
      4   0.521296D+01 -0.153702D+02  0.239237D+02  0.229472D+01  0.261513D+01
      5   0.365419D+01 -0.455572D+01  0.362750D+01  0.779627D+01  0.562405D+01
      6  -0.280909D+00  0.172169D+01  0.570833D+01  0.390764D+01  0.496596D+01
                26            27            28            29            30 
      1   0.194100D+01 -0.159337D+02  0.991830D+02 -0.145979D+02 -0.831793D+01
      2   0.342709D+01  0.187126D+01 -0.442625D+02  0.836991D+01  0.288364D+01
      3  -0.536809D+01  0.140624D+02 -0.549205D+02  0.622796D+01  0.543429D+01
      4   0.846815D+01  0.260888D+02 -0.305280D+02  0.516265D+01  0.118231D+01
      5   0.271456D+02 -0.398773D+01 -0.775366D+01 -0.696189D+00 -0.613358D+01
      6   0.155949D+02 -0.192805D+01 -0.329252D+01  0.121024D+01  0.115965D+01
                31            32            33            34            35 
      1   0.864829D+02 -0.306253D+02 -0.548698D+01 -0.196682D+02  0.366639D+01
      2  -0.388188D+02  0.266561D+02  0.100830D+01  0.853326D+01 -0.322001D+01
      3  -0.476641D+02  0.396919D+01  0.447868D+01  0.111349D+02 -0.446383D+00
      4  -0.158147D+02  0.140722D+02 -0.524013D+00  0.419067D+01 -0.937062D+00
      5   0.329254D+01 -0.277042D+01  0.706571D+00  0.428771D+00  0.241367D+01
      6  -0.292198D+01  0.576589D+00 -0.917028D+00  0.360902D+01  0.320900D+01
                36            37            38            39            40 
      1  -0.657299D+01 -0.902080D+02  0.497545D+02  0.120214D+01 -0.867135D+02
      2  -0.249109D+01  0.452626D+02 -0.302924D+02 -0.183987D+01  0.471441D+02
      3   0.906408D+01  0.449454D+02 -0.194621D+02  0.637732D+00  0.395694D+02
      4   0.216807D+01  0.562228D+02 -0.547959D+01 -0.255823D+01 -0.705747D+01
      5   0.231309D+01  0.286974D+01 -0.112321D+01  0.150045D+01 -0.941338D+00
      6   0.118639D+01 -0.345863D+00 -0.146605D+01  0.687137D+00  0.365765D+01
                41            42            43            44            45 
      1  -0.324554D-02  0.673249D+01  0.131988D+02 -0.661107D+01 -0.125521D+02
      2   0.251509D+01 -0.484320D+01 -0.635736D+01  0.312562D+01 -0.720937D+00
      3  -0.251185D+01 -0.188928D+01 -0.684147D+01  0.348545D+01  0.132731D+02
      4  -0.282803D+01  0.110895D+01 -0.502307D+01  0.101797D+01  0.673599D+00
      5   0.235611D+01 -0.158560D-01 -0.243176D+01 -0.141794D+01  0.154458D+01
      6  -0.303000D+01 -0.262598D-01  0.190344D+01  0.184644D+01  0.579388D+00
                46            47            48            49            50 
      1   0.859828D+01 -0.524839D+02  0.197583D+01  0.197124D+01  0.247458D+02
      2  -0.704680D+01  0.333783D+02 -0.952752D-01 -0.769946D+01 -0.232115D+02
      3  -0.155148D+01  0.191056D+02 -0.188056D+01  0.572822D+01 -0.153436D+01
      4  -0.399727D+02 -0.308107D+02  0.505994D+01  0.339352D+02 -0.180889D+02
      5  -0.336273D+01  0.541390D+01 -0.988615D+01 -0.122629D+01 -0.126337D+00
      6   0.439063D+01  0.191090D+01  0.610141D+01  0.700059D+00  0.580777D+01
                51            52            53            54            55 
      1  -0.516585D+01 -0.332837D+01 -0.634668D+00 -0.218435D+02  0.107240D+02
      2   0.516687D+01  0.328847D+01  0.583773D+01  0.768573D+01 -0.106218D+02
      3  -0.102694D-02  0.398973D-01 -0.520306D+01  0.141578D+02 -0.102174D+00
      4  -0.118895D+01 -0.867121D+00  0.463054D+01 -0.109500D+02  0.123833D+02
      5  -0.169194D+01  0.359009D+00 -0.130771D+02  0.662232D+01  0.799552D+01
      6   0.476764D+01  0.769931D+00  0.211131D+02 -0.440226D+01  0.109442D+01
                56            57            58            59            60 
      1  -0.477230D+02  0.158065D+00  0.235047D+02 -0.268039D+01 -0.419650D+01
      2   0.416483D+02 -0.295972D-01 -0.209736D+02 -0.919151D+01  0.523042D+01
      3   0.607466D+01 -0.128468D+00 -0.253110D+01  0.118719D+02 -0.103393D+01
      4  -0.494296D+01  0.169018D+00 -0.249282D+01 -0.129005D+02  0.276543D+01
      5   0.303970D+01 -0.530707D+00 -0.271139D+01  0.248642D+01  0.158534D+01
      6   0.624190D+01  0.733576D+01  0.128643D+01  0.775469D+01  0.684018D+01
                61            62            63            64            65 
      1  -0.603972D+01  0.563682D+00 -0.256632D+02 -0.718299D+01  0.708879D+02
      2   0.590961D+01  0.325534D+01  0.155495D+02  0.308048D+01 -0.603213D+02
      3   0.130114D+00 -0.381902D+01  0.101137D+02  0.410251D+01 -0.105666D+02
      4   0.580107D+00  0.559327D+01  0.693017D+01  0.301576D+01 -0.203403D+02
      5   0.392736D+01  0.122118D+01  0.204192D+01 -0.880556D+00 -0.425426D+01
      6   0.508678D+01  0.271513D+02 -0.396289D+01 -0.284539D+01 -0.175321D+00
                66            67            68            69            70 
      1  -0.518548D+01 -0.239317D+02  0.336544D+02 -0.650513D+01  0.118686D+02
      2   0.401942D+01  0.302014D+02 -0.371740D+02  0.306834D+01 -0.103843D+02
      3   0.116605D+01 -0.626973D+01  0.351962D+01  0.343679D+01 -0.148429D+01
      4   0.105576D+01  0.668254D+01  0.104678D+02 -0.279616D+01 -0.180787D+01
      5   0.660867D+01  0.115302D+01 -0.575891D+01 -0.697013D+01  0.285274D+02
      6  -0.864039D+01 -0.698755D+01  0.936520D+00  0.408219D+01 -0.202883D+02
                71            72            73            74            75 
      1  -0.161806D+02 -0.119637D+02  0.124605D+01  0.932292D+01  0.219612D+01
      2   0.137198D+02  0.322328D+01 -0.191118D+02 -0.113743D+02  0.205762D+01
      3   0.246078D+01  0.874045D+01  0.178657D+02  0.205142D+01 -0.425375D+01
      4  -0.326816D+00 -0.112022D+02  0.304225D+02  0.942278D+01 -0.252985D+01
      5  -0.817648D+01  0.798626D-01 -0.327475D+01 -0.210927D+01  0.384742D+01
      6   0.152618D+02  0.602149D+01  0.284497D+01 -0.335287D+01 -0.214659D+01
                76            77            78            79            80 
      1   0.335089D+02 -0.716375D+02  0.377146D+01  0.126960D+02  0.459682D+01
      2  -0.229305D+02  0.684399D+02 -0.541882D+01 -0.189038D+01 -0.636672D+01
      3  -0.105785D+02  0.319763D+01  0.164735D+01 -0.108056D+02  0.176989D+01
      4  -0.404582D+02  0.219458D+01  0.148683D+01  0.491476D+01 -0.201602D+01
      5   0.442125D+01  0.403325D+01  0.314008D+01  0.318190D+02 -0.204237D+01
      6   0.339521D+01  0.328563D+01 -0.152260D+01 -0.742507D+01  0.427288D+01
                81            82            83            84            85 
      1  -0.303374D+01  0.592943D+02 -0.571010D+02 -0.180111D+01  0.659721D+01
      2  -0.887028D+01 -0.290664D+02  0.422132D+02 -0.129022D+01 -0.194257D+02
      3   0.119040D+02 -0.302279D+02  0.148878D+02  0.309133D+01  0.128285D+02
      4   0.464466D+01 -0.545979D+02  0.441987D+01  0.388758D+01  0.291499D+02
      5  -0.437829D+01  0.155699D+00  0.387128D+01 -0.450684D+01 -0.473669D+00
      6   0.312042D+01  0.129577D+01  0.344351D+01  0.256601D+00  0.195574D+01
                86            87            88            89            90 
      1   0.354961D+02 -0.485118D+00 -0.362840D+01  0.668381D+01 -0.873792D+01
      2  -0.378198D+02  0.454995D+01  0.556634D+00  0.881467D+00 -0.576467D+01
      3   0.232370D+01 -0.406484D+01  0.307176D+01 -0.756527D+01  0.145026D+02
      4  -0.578591D+01 -0.163735D+00  0.763779D+01  0.165359D+01  0.384766D+01
      5   0.868211D-01  0.683551D+01  0.408321D+01  0.994795D+01 -0.899849D+00
      6   0.819009D+00  0.288813D+01  0.296100D+01  0.675453D+01 -0.301225D+01
                91            92            93            94            95 
      1   0.156565D+02  0.860490D+01 -0.511774D+01 -0.297608D+01 -0.132055D+02
      2  -0.817161D+01 -0.283556D+01 -0.530710D+01  0.148236D+02  0.225672D+01
      3  -0.748490D+01 -0.576934D+01  0.104248D+02 -0.118475D+02  0.109487D+02
      4  -0.877165D+01 -0.173861D+02 -0.355268D+01 -0.344575D+02  0.324900D+02
      5   0.340680D+01 -0.334706D+01 -0.120807D+02  0.511752D+01  0.479911D+01
      6  -0.543995D+01  0.326968D+01 -0.389343D+01  0.476434D+01 -0.586911D+01
                96            97            98            99           100 
      1  -0.532296D+01 -0.187660D+02 -0.390404D+01 -0.134106D+02  0.182770D+02
      2  -0.641678D+01  0.601708D+01  0.187425D+00  0.961664D+01 -0.144120D+02
      3   0.117397D+02  0.127489D+02  0.371661D+01  0.379401D+01 -0.386498D+01
      4   0.363361D+01 -0.691384D+01 -0.761085D+00 -0.273312D+02  0.304978D+02
      5  -0.253466D+02 -0.635216D+02 -0.207547D+02  0.862274D+01 -0.140870D+01
      6  -0.429458D+01 -0.123766D+02 -0.551694D+01  0.263948D+01  0.460017D+00
               101           102           103           104           105 
      1   0.335997D+02  0.491236D+00 -0.120655D+01  0.148456D+02 -0.359622D+01
      2  -0.205365D+02  0.181107D+01  0.398212D+01 -0.660293D+01  0.252706D+01
      3  -0.130632D+02 -0.230231D+01 -0.277557D+01 -0.824265D+01  0.106915D+01
      4   0.465288D+01  0.554601D+00  0.415189D+02  0.127383D+02 -0.422457D+01
      5   0.536310D+00  0.286987D+02 -0.524989D+01 -0.245431D+01 -0.106877D+02
      6  -0.178124D+01 -0.460922D+01 -0.189855D+01  0.263974D+00  0.903890D+01
               106           107           108           109           110 
      1   0.145529D+00 -0.387906D+01 -0.106263D+00 -0.630623D+02 -0.482194D+02
      2   0.164418D+01  0.320384D+01 -0.538376D+00  0.391084D+02  0.248253D+02
      3  -0.178971D+01  0.675215D+00  0.644639D+00  0.239539D+02  0.233941D+02
      4  -0.518159D+01  0.168978D-01  0.776865D+01 -0.478284D+02  0.113109D+02
      5   0.900412D+01  0.616550D+01 -0.384311D+01  0.925242D+01  0.924604D+01
      6   0.343442D+01  0.389705D+01 -0.144406D+01  0.263321D+01 -0.183648D+01
               111           112           113           114           115 
      1   0.101025D+02 -0.418198D+02 -0.272131D+00  0.179016D+02  0.550668D+01
      2  -0.618385D+01  0.193152D+02 -0.435566D+00 -0.858260D+01 -0.243818D+01
      3  -0.391861D+01  0.225046D+02  0.707697D+00 -0.931901D+01 -0.306850D+01
      4   0.832261D+01 -0.287249D+02  0.276110D+02  0.104207D+02  0.116571D+02
      5  -0.821404D+01  0.136887D+02  0.992712D+01  0.740363D+02 -0.319262D+02
      6   0.153551D+01  0.149579D+01 -0.536850D+01 -0.210753D+02  0.137921D+02
               116           117           118           119           120 
      1   0.149904D+02 -0.258763D+01  0.363901D+02 -0.136039D+02 -0.171383D+01
      2  -0.783039D+01 -0.143208D+01 -0.121501D+02 -0.234082D+00  0.900564D+00
      3  -0.715999D+01  0.401971D+01 -0.242400D+02  0.138380D+02  0.813262D+00
      4   0.513870D+01  0.509030D+02 -0.323860D+02  0.266391D+02  0.183273D+00
      5   0.542163D+02 -0.156836D+02 -0.143538D+00 -0.999947D+00  0.299471D+01
      6  -0.169492D+02 -0.913413D-01  0.374216D+00  0.155625D+00 -0.166804D+01
               121           122           123           124           125 
      1  -0.168160D+02  0.584459D+01 -0.440644D-02 -0.245752D+01  0.465357D+00
      2  -0.429917D+01  0.153145D+02  0.871211D-02  0.215906D+01 -0.110173D+01
      3   0.211152D+02 -0.211591D+02 -0.430567D-02  0.298464D+00  0.636375D+00
      4   0.396726D+02 -0.449851D+02  0.765401D+00 -0.982670D+00  0.175594D+01
      5  -0.271592D+01  0.298945D+01 -0.482826D+01 -0.168799D+01 -0.120730D+01
      6   0.139135D+01 -0.134040D+01  0.425919D+01  0.973136D+00  0.160191D+01
               126           127           128           129           130 
      1  -0.166795D+01  0.358762D+01  0.796923D+01 -0.658189D+00  0.521805D+01
      2   0.148468D+01  0.384819D+01  0.171916D+01 -0.318280D-01  0.833173D+01
      3   0.183269D+00 -0.743582D+01 -0.968839D+01  0.690017D+00 -0.135498D+02
      4  -0.187530D+01  0.240323D+02  0.238386D+02 -0.378701D+01  0.319395D+02
      5   0.690932D+00 -0.219623D+01 -0.271485D+01  0.362830D+01 -0.308895D+01
      6  -0.532374D+00 -0.172930D+01 -0.199455D+01  0.224343D+01 -0.271821D+01
               131           132           133           134           135 
      1  -0.114925D+02  0.138482D+01 -0.536948D+00  0.321849D+00 -0.107713D+01
      2   0.291750D+02 -0.238478D+01 -0.596851D+00 -0.232608D+01  0.246498D+01
      3  -0.176825D+02  0.999963D+00  0.113380D+01  0.200423D+01 -0.138785D+01
      4   0.550575D+02 -0.684277D+01 -0.495630D+01 -0.741623D+01  0.300734D+01
      5  -0.430973D+01  0.647278D+01  0.305155D+01  0.132145D+01 -0.139719D+01
      6  -0.560911D+01  0.659845D+01  0.298976D+01  0.349134D+01 -0.184852D+01
               136           137           138           139           140 
      1  -0.649674D+01 -0.155994D+02  0.245317D+01 -0.665432D+01 -0.482620D+02
      2   0.708051D+01  0.150649D+02 -0.176387D+01  0.652633D+01  0.579889D+02
      3  -0.583774D+00  0.534450D+00 -0.689295D+00  0.127986D+00 -0.972692D+01
      4  -0.744871D+00  0.525526D+01 -0.854844D-01  0.250135D+01 -0.137812D+02
      5   0.462951D+00  0.374202D+00  0.886725D+00  0.412649D-01  0.394710D+01
      6  -0.133099D+01 -0.289450D+01  0.203102D+01 -0.876873D+00 -0.941922D+01
               141           142           143           144           145 
      1   0.572177D+01  0.124292D+01  0.661175D+01 -0.242311D+01 -0.639972D+01
      2  -0.518906D+01 -0.971904D+00 -0.675030D+01  0.254111D+01  0.983736D+01
      3  -0.532711D+00 -0.271011D+00  0.138546D+00 -0.117998D+00 -0.343764D+01
      4   0.187687D+01  0.184506D+00  0.125644D+01  0.150892D+01  0.775404D+01
      5  -0.205387D+01  0.131913D+01  0.413069D+00 -0.271834D+00  0.147695D+00
      6   0.736308D+01  0.333138D+00  0.370048D+01 -0.170450D+01 -0.963025D+00
               146           147           148           149           150 
      1  -0.107856D+02  0.190929D+01 -0.768082D+01 -0.547047D+02  0.568967D+01
      2   0.166142D+02 -0.201592D+01  0.108481D+02  0.771688D+02 -0.670370D+01
      3  -0.582855D+01  0.106634D+00 -0.316724D+01 -0.224641D+02  0.101403D+01
      4   0.166057D+02 -0.161549D+01  0.918488D+01  0.219472D+02 -0.184136D+01
      5  -0.109519D+00  0.212645D+01 -0.316934D+00  0.110591D+01  0.117692D+01
      6  -0.207255D+01  0.248416D+01 -0.894992D+00 -0.600299D+01  0.829944D+01
               151           152           153           154           155 
      1   0.610966D+00  0.720971D+01 -0.241306D+01  0.226731D+01  0.526327D+01
      2  -0.124859D+01 -0.904808D+01  0.299211D+01  0.104356D+02 -0.160345D+02
      3   0.637619D+00  0.183838D+01 -0.579045D+00 -0.127029D+02  0.107712D+02
      4  -0.114906D+01 -0.350739D+01  0.192008D+01 -0.292270D+02  0.255799D+02
      5  -0.670347D+00  0.202312D+01 -0.915883D+00 -0.167353D+01  0.316824D+00
      6  -0.421415D+00  0.418943D+01 -0.180997D+01  0.248778D+01 -0.212125D+01
               156           157           158           159           160 
      1  -0.246640D-01  0.107781D+02 -0.207579D+02 -0.713600D-01 -0.181671D+01
      2   0.120745D+00 -0.238573D+02  0.380303D+02  0.106950D+00  0.199732D+01
      3  -0.960809D-01  0.130793D+02 -0.172724D+02 -0.355898D-01 -0.180615D+00
      4   0.538987D+00  0.290273D+02 -0.356968D+02  0.137961D+00 -0.294229D+00
      5   0.337380D+01 -0.530908D+00  0.260999D+00 -0.353278D+01  0.686611D-01
      6  -0.318053D+01 -0.102446D+01  0.236113D+01  0.550129D+01  0.146428D+01
               161           162           163           164           165 
      1   0.144166D+01 -0.386528D+00  0.325962D+01  0.460180D-02 -0.224164D-01
      2  -0.207522D+01  0.155408D+01 -0.122027D+01  0.653614D+00  0.501283D+00
      3   0.633563D+00 -0.116755D+01 -0.203936D+01 -0.658216D+00 -0.478867D+00
      4   0.114686D+01 -0.213961D+01  0.633547D+01  0.786585D+01 -0.113944D+01
      5  -0.209253D+01  0.489167D+00 -0.173260D+01 -0.163250D+01  0.252971D+01
      6   0.281770D+01 -0.612469D+00 -0.152179D+01 -0.129873D+01  0.109969D+01
               166           167           168           169           170 
      1  -0.399957D+01 -0.169248D+02  0.280262D+01  0.189212D+01  0.116118D+01
      2   0.576670D+01  0.197606D+02 -0.144788D+01 -0.124793D+01 -0.123180D+01
      3  -0.176713D+01 -0.283581D+01 -0.135474D+01 -0.644196D+00  0.706156D-01
      4   0.115307D+02  0.165928D+02 -0.207621D+01 -0.104799D+01 -0.165356D+01
      5  -0.198051D+01 -0.168529D+01  0.321031D+01  0.336912D+01  0.399213D+00
      6  -0.294022D+01 -0.622358D+01  0.516205D+01  0.223407D+01  0.247127D+01
               171           172           173           174           175 
      1  -0.149632D+01  0.146046D+02 -0.134070D+02 -0.840936D+00 -0.185559D+02
      2   0.208849D+01 -0.207731D+01  0.385213D+01  0.882830D+00  0.513765D+01
      3  -0.592176D+00 -0.125273D+02  0.955491D+01 -0.418944D-01  0.134182D+02
      4   0.187649D+01 -0.234490D+02  0.200975D+02  0.275572D+01  0.263648D+02
      5   0.228021D+00 -0.397785D+01  0.358864D+01  0.828059D+01  0.650563D+01
      6  -0.943615D+00  0.409616D+01 -0.291205D+01 -0.407983D+00 -0.414943D+01
               176           177           178           179           180 
      1   0.616884D+01  0.489762D+00 -0.193767D+00  0.103293D+01  0.296551D+01
      2   0.944526D+01  0.220656D+00  0.132853D+01 -0.128362D+01 -0.139919D+01
      3  -0.156141D+02 -0.710418D+00 -0.113477D+01  0.250689D+00 -0.156632D+01
      4  -0.422266D+02 -0.382218D+01  0.381590D+01 -0.265462D+01 -0.501034D+01
      5  -0.485569D+01 -0.817086D+01  0.108599D+02 -0.453269D+01 -0.335218D+01
      6   0.860991D+01  0.405658D+01 -0.237413D+01  0.587609D+01  0.209603D+01
               181           182           183           184           185 
      1  -0.899136D+02 -0.154288D+02  0.321194D+02 -0.104015D+02  0.225416D+02
      2   0.488905D+02  0.144047D+02 -0.513427D+01  0.351694D+01 -0.161601D+02
      3   0.410232D+02  0.102407D+01 -0.269851D+02  0.688459D+01 -0.638150D+01
      4  -0.183020D+02  0.129964D+02  0.619513D+01  0.187448D+02 -0.175462D+02
      5   0.431428D+02  0.815194D+01  0.122067D+02 -0.456191D+01 -0.484095D+01
      6   0.444303D+01 -0.833999D+01 -0.695167D+00 -0.949299D+01  0.104851D+02
               186           187           188           189           190 
      1   0.166933D+02  0.984533D+01  0.123958D+02  0.242994D+02 -0.252547D+02
      2   0.992160D+01  0.881487D+01  0.474252D+01 -0.125977D+01  0.270177D+02
      3  -0.266149D+02 -0.186602D+02 -0.171383D+02 -0.230396D+02 -0.176296D+01
      4   0.991354D+00 -0.761071D+01  0.572008D+00  0.271987D+02  0.150953D+02
      5   0.334756D+02  0.324503D+02  0.206157D+02 -0.561034D+01 -0.380442D+02
      6   0.234066D+01  0.734308D+01  0.206466D+01 -0.179336D+02  0.528286D+01
               191           192           193           194           195 
      1   0.622076D+01 -0.136706D+02  0.264955D+02  0.423450D+01  0.150202D+02
      2  -0.392766D+01  0.185319D+02 -0.307042D+02 -0.984061D+01 -0.188324D+02
      3  -0.229310D+01 -0.486130D+01  0.420871D+01  0.560611D+01  0.381219D+01
      4  -0.127830D+01  0.843220D+01  0.621323D+01 -0.588403D+01  0.272288D+01
      5   0.908466D+01 -0.168498D+02  0.292510D+02  0.293499D+00  0.450707D+02
      6  -0.532115D+01  0.624902D+01  0.362495D+01  0.201229D+01  0.309782D+00
               196           197           198           199           200 
      1  -0.394663D+02  0.110541D+02 -0.763057D+01  0.195571D+03  0.237671D+02
      2   0.316679D+02 -0.104435D+02  0.187952D+02 -0.104289D+03 -0.132427D+02
      3   0.779833D+01 -0.610648D+00 -0.111646D+02 -0.912819D+02 -0.105243D+02
      4   0.193814D+02 -0.212010D+02  0.284242D+02  0.238575D+02  0.159759D+02
      5  -0.188166D+02  0.262415D+02 -0.213913D+02 -0.209786D+02 -0.274151D+01
      6   0.112742D+02 -0.565651D+01  0.125567D+02 -0.343102D+00 -0.687729D+00
               201           202           203           204           205 
      1  -0.165175D+02  0.661307D+02  0.211241D+02 -0.613159D+01 -0.205507D+02
      2   0.991462D+01 -0.355629D+02 -0.108425D+02  0.380876D+01  0.126203D+02
      3   0.660291D+01 -0.305678D+02 -0.102816D+02  0.232283D+01  0.793046D+01
      4  -0.238868D+01  0.260857D+02  0.171950D+02 -0.379631D+01 -0.284042D+01
      5   0.184596D+02 -0.730854D+01 -0.395049D+01  0.465038D+01  0.262473D+02
      6  -0.487731D+00 -0.121959D+01 -0.628700D+00  0.186487D+01 -0.226210D+00
               206           207           208           209           210 
      1  -0.322231D+01  0.177585D+02 -0.573196D+00 -0.406434D+01 -0.124568D+02
      2   0.209036D+01 -0.105978D+02 -0.441981D-01  0.219767D+01  0.540991D+01
      3   0.113195D+01 -0.716079D+01  0.617394D+00  0.186668D+01  0.704686D+01
      4  -0.335729D+01 -0.103807D+01 -0.808928D+00 -0.192858D+01  0.147568D+01
      5  -0.121887D+01 -0.586359D+01 -0.998353D+01  0.646003D+00 -0.265563D+01
      6   0.272154D+01 -0.724620D-01  0.238670D+01  0.105884D+01  0.214819D+01
               211           212           213           214           215 
      1  -0.175227D+02  0.266067D+01  0.338052D+00 -0.321580D+02  0.189791D+01
      2   0.717807D+01  0.490399D+01  0.148324D+01  0.179551D+02 -0.523744D+00
      3   0.103446D+02 -0.756466D+01 -0.182129D+01  0.142028D+02 -0.137417D+01
      4   0.304230D+02 -0.431893D+02 -0.290176D+02  0.216728D+02 -0.294399D+02
      5   0.181392D+02 -0.293168D+02 -0.355038D+02  0.336747D+02 -0.352840D+02
      6  -0.843186D+01  0.142116D+02  0.145086D+02 -0.111872D+02  0.148654D+02
               216           217           218           219           220 
      1   0.191298D+01  0.148410D+02 -0.451111D+01  0.137117D+02 -0.172806D+02
      2  -0.694151D+01 -0.760978D+01  0.186834D+01 -0.630175D+01  0.655949D+01
      3   0.502853D+01 -0.723125D+01  0.264276D+01 -0.740992D+01  0.107211D+02
      4  -0.331558D+02 -0.489109D+01  0.219912D+01 -0.715523D+01  0.282322D+02
      5  -0.473423D+02  0.163790D+02 -0.664234D+01  0.446543D+01 -0.196230D+02
      6   0.159933D+02 -0.371743D+01  0.132541D+01  0.187251D+00  0.557500D+01
               221           222           223           224           225 
      1   0.917888D+01 -0.865777D+01  0.492353D+02 -0.131919D+02  0.132437D+02
      2  -0.292833D-01  0.172503D+01 -0.269325D+02  0.512133D+01 -0.113146D+02
      3  -0.914960D+01  0.693274D+01 -0.223028D+02  0.807053D+01 -0.192905D+01
      4  -0.300170D+02  0.204387D+02 -0.283019D+02  0.260085D+02 -0.303854D+02
      5   0.216177D+02 -0.305281D+02  0.431887D+02 -0.333862D+02  0.617214D+02
      6  -0.700745D+01  0.104480D+02 -0.110125D+02  0.111149D+02 -0.135945D+02
               226           227           228           229           230 
      1  -0.585415D+00 -0.369706D+01 -0.195651D+02 -0.581402D+01 -0.109721D+02
      2  -0.358158D+01 -0.584679D+00 -0.981824D+00  0.438628D+01  0.725405D+00
      3   0.416700D+01  0.428173D+01  0.205469D+02  0.142774D+01  0.102467D+02
      4  -0.195262D+01 -0.360325D+01 -0.276729D+01 -0.182828D+01 -0.741547D+01
      5  -0.548570D+01 -0.446893D+00 -0.728466D+01  0.617562D+01 -0.775737D+01
      6   0.157619D+01  0.345420D+01  0.161830D+01  0.740217D+00  0.660847D+01
               231           232           233           234           235 
      1  -0.135589D+02 -0.109137D+02 -0.884990D+01 -0.365288D+02  0.843446D+00
      2  -0.750455D+01  0.510317D+01 -0.396993D+01 -0.192047D+02  0.191813D+01
      3   0.210635D+02  0.581049D+01  0.128198D+02  0.557335D+02 -0.276157D+01
      4  -0.106843D+02 -0.120491D+01 -0.851246D+01 -0.128906D+02  0.420174D+01
      5  -0.231829D+02  0.702608D+01 -0.953456D+01 -0.450188D+02  0.363742D+00
      6   0.984880D+01  0.569996D+00  0.818159D+01  0.802564D+01 -0.257647D+01
               236           237           238           239           240 
      1   0.104202D+02 -0.603488D+01  0.123599D+02 -0.208038D+02  0.420176D+01
      2  -0.785056D+01 -0.274445D+00 -0.764051D+01  0.223711D+02 -0.393175D+00
      3  -0.256960D+01  0.630933D+01 -0.471938D+01 -0.156731D+01 -0.380858D+01
      4  -0.569530D+01  0.125280D+01  0.397012D+01  0.332719D+02 -0.750915D+01
      5  -0.136265D+01 -0.487421D+01 -0.833701D+01 -0.328856D+01  0.896530D+01
      6   0.572557D+01 -0.264732D+01  0.108877D+00 -0.217883D+02  0.870220D+01
               241           242           243           244           245 
      1   0.666018D+00  0.230520D+01 -0.785621D+01  0.121388D+03  0.112856D+02
      2  -0.187101D+01 -0.715484D+00  0.282665D+01 -0.712138D+02 -0.582554D+01
      3   0.120499D+01 -0.158971D+01  0.502956D+01 -0.501745D+02 -0.546003D+01
      4   0.143506D+01 -0.123149D+01  0.168802D+01  0.270413D+02  0.145088D+02
      5  -0.255342D+01  0.171975D+01  0.836535D+00 -0.697383D+02 -0.841278D+01
      6  -0.895114D+00  0.499673D+01 -0.131606D+01 -0.681625D+01 -0.503553D+01
               246           247           248           249           250 
      1  -0.240820D+02  0.823950D+01  0.833733D+01 -0.254430D+01 -0.694342D+01
      2   0.203545D+02 -0.350642D+01 -0.329507D+01 -0.408367D-01  0.906430D+01
      3   0.372746D+01 -0.473308D+01 -0.504226D+01  0.258514D+01 -0.212088D+01
      4  -0.721276D+01  0.172791D+02  0.704844D+01 -0.485145D+01 -0.142134D+01
      5   0.314509D+02 -0.447675D+01 -0.660618D+01 -0.369191D+00  0.212868D+02
      6   0.387513D+01 -0.554355D+01 -0.297451D+01  0.306380D+01  0.264176D+01
               251           252           253           254           255 
      1  -0.157886D+01  0.913592D+01  0.778741D+02 -0.224478D+02  0.327649D+02
      2   0.232456D+00 -0.100043D+02 -0.517008D+02  0.126182D+02 -0.248228D+02
      3   0.134640D+01  0.868350D+00 -0.261733D+02  0.982956D+01 -0.794203D+01
      4  -0.171079D+01  0.532194D+00 -0.247104D+02  0.211701D+02 -0.781134D+01
      5   0.104029D+01 -0.123711D+02  0.586038D+02 -0.121777D+02  0.395979D+02
      6   0.165118D+01 -0.197936D+00 -0.759899D+01  0.718460D+01 -0.420704D+01
               256           257           258           259           260 
      1  -0.433586D+02  0.113617D+02 -0.899156D+01  0.516044D+02 -0.512062D+01
      2   0.325244D+02 -0.660867D+01  0.152797D+02 -0.467302D+02  0.102442D+02
      3   0.108341D+02 -0.475301D+01 -0.628816D+01 -0.487417D+01 -0.512354D+01
      4   0.229909D+02 -0.351107D+02  0.208371D+02 -0.117811D+02  0.283204D+02
      5  -0.347682D+02  0.213566D+02 -0.355396D+02  0.720730D+02 -0.252278D+02
      6   0.945684D+01 -0.141731D+02  0.134438D+02 -0.509053D+01  0.160635D+02
               261           262           263           264           265 
      1   0.143993D+02 -0.169164D+01  0.117110D+02  0.998731D+00  0.159190D+02
      2  -0.407013D+02  0.468517D+01 -0.519621D+01 -0.229600D+00 -0.525809D+01
      3   0.263020D+02 -0.299353D+01 -0.651483D+01 -0.769131D+00 -0.106609D+02
      4  -0.241486D+02 -0.339753D+00 -0.172512D+01 -0.121274D+02  0.130527D+02
      5   0.733362D+02 -0.909375D+01 -0.817425D+01 -0.100779D+02 -0.773234D+01
      6  -0.131497D+02 -0.322414D+01 -0.626853D+01 -0.883649D+01 -0.573244D+01
               266           267           268           269           270 
      1  -0.108843D+02 -0.482706D+01 -0.623657D+01 -0.581632D+01 -0.698851D+01
      2   0.289320D+02  0.439866D+01  0.268914D+01  0.178502D+01  0.615433D+01
      3  -0.180478D+02  0.428393D+00  0.354743D+01  0.403129D+01  0.834179D+00
      4   0.301381D+02 -0.129102D+02 -0.241438D+02 -0.241988D+02 -0.202238D+02
      5  -0.126083D+02 -0.134890D+02 -0.200458D+02 -0.183844D+02 -0.375213D+02
      6   0.331186D+01 -0.120047D+01 -0.141942D+02 -0.735640D+01 -0.181669D+02
               271           272           273           274           275 
      1   0.917385D+01  0.738231D+01  0.773441D+01  0.342963D+01 -0.286224D+01
      2  -0.429824D+01 -0.329348D+01 -0.471033D+01  0.976558D+00  0.626518D+01
      3  -0.487561D+01 -0.408883D+01 -0.302409D+01 -0.440619D+01 -0.340294D+01
      4   0.180215D+02  0.157372D+02  0.136178D+02  0.146880D+02  0.239764D+02
      5   0.157984D+02  0.122619D+02  0.164019D+02  0.951749D+01  0.129510D+02
      6   0.908740D+01  0.679751D+01  0.764946D+01  0.698042D+01  0.124510D+02
               276           277           278           279 
      1  -0.150203D+01  0.632754D+01 -0.182438D+01 -0.236423D+01
      2   0.260779D+01 -0.600716D+01 -0.646284D-01 -0.661052D+01
      3  -0.110576D+01 -0.320376D+00  0.188901D+01  0.897475D+01
      4   0.140826D+02  0.246252D+02  0.305080D+02  0.315524D+02
      5   0.142837D+02  0.291967D+02  0.285483D+02  0.441928D+02
      6   0.105891D+02  0.156986D+02  0.200759D+02  0.252123D+02
 Leave Link  716 at Thu Sep 23 14:50:47 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.306812D+03 -0.206540D+02 -0.824719D+01
      2  -0.206540D+02  0.183200D+03 -0.500133D+01
      3  -0.824719D+01 -0.500133D+01  0.120807D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.128868D+02  0.203046D+02  0.348786D+01
      2  -0.872154D+02 -0.290434D+01 -0.294571D+02
      3   0.115042D+03 -0.416130D+02 -0.413585D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.447402D+03 -0.117129D+03 -0.921532D+02
      2  -0.190465D+03  0.971307D+02  0.100233D+02
      3  -0.256936D+03  0.199979D+02  0.821298D+02
      4  -0.718257D+02  0.876018D+02 -0.730429D+01
      5  -0.154599D+02 -0.104458D+01 -0.929316D+02
      6  -0.540471D+01  0.183580D+02 -0.242399D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.408107D+02 -0.790811D+01 -0.109565D+01 -0.412094D+01  0.386800D+01
      2  -0.790811D+01  0.988308D+01 -0.201167D+00  0.386800D+01 -0.139326D+02
      3  -0.109565D+01 -0.201167D+00  0.276671D+01  0.275800D+00  0.150993D+01
                 6             7             8             9            10 
      1   0.275800D+00 -0.221590D+01  0.997699D+00  0.740069D+01  0.266918D+01
      2   0.150993D+01  0.997699D+00  0.173718D+00 -0.138522D+01  0.145414D+01
      3  -0.150045D+00  0.740069D+01 -0.138522D+01 -0.124872D+01 -0.905207D-01
                11            12            13            14            15 
      1   0.145414D+01 -0.905207D-01 -0.177616D+02  0.343390D+01  0.129923D+01
      2   0.104152D+02 -0.164812D+01  0.343390D+01  0.363237D+01 -0.139042D+01
      3  -0.164812D+01  0.194478D+01  0.129923D+01 -0.139042D+01 -0.135965D+01
                16            17            18            19            20 
      1   0.221953D+01 -0.396128D+00  0.399536D+01 -0.416055D+02  0.132379D+02
      2  -0.396128D+00 -0.204847D+01 -0.282352D+01  0.132379D+02 -0.922219D+01
      3   0.399536D+01 -0.282352D+01 -0.241800D+00  0.119281D+01  0.604898D+00
                21            22            23            24            25 
      1   0.119281D+01  0.220557D+02 -0.615738D+01 -0.623219D+00  0.196411D+01
      2   0.604898D+00 -0.615738D+01  0.753173D+01  0.307335D+00 -0.188415D+00
      3  -0.415506D+00 -0.623219D+00  0.307335D+00  0.196395D+01  0.495782D+00
                26            27            28            29            30 
      1  -0.188415D+00  0.495782D+00  0.426031D+02 -0.120305D+02 -0.105271D+01
      2   0.111396D+01  0.457465D+01 -0.120305D+02  0.351980D+01  0.435410D+00
      3   0.457465D+01 -0.124795D+01 -0.105271D+01  0.435410D+00  0.179733D+00
                31            32            33            34            35 
      1   0.430841D+02 -0.720905D+01 -0.295213D+01 -0.852144D+01  0.220836D+01
      2  -0.720905D+01  0.806865D+01  0.256989D+00  0.220836D+01 -0.107392D+01
      3  -0.295213D+01  0.256989D+00  0.800816D-01  0.130371D+01  0.779990D+00
                36            37            38            39            40 
      1   0.130371D+01 -0.464549D+02  0.120427D+02  0.116927D+01 -0.393737D+02
      2   0.779990D+00  0.120427D+02 -0.753657D+01 -0.537832D+00  0.648762D+01
      3  -0.203223D+00  0.116927D+01 -0.537832D+00  0.133559D+00  0.270690D+01
                41            42            43            44            45 
      1   0.648762D+01  0.270690D+01  0.876337D+01 -0.189756D+01 -0.128208D+01
      2  -0.583915D+01 -0.744346D-01 -0.189756D+01  0.125313D+01 -0.692901D+00
      3  -0.744346D-01 -0.154333D+00 -0.128208D+01 -0.692901D+00  0.255446D+00
                46            47            48            49            50 
      1  -0.478128D+00 -0.326716D+01  0.898381D+00 -0.389060D+01  0.452114D+01
      2  -0.326716D+01 -0.523029D+01  0.435250D+00  0.452114D+01 -0.263927D+01
      3   0.898381D+00  0.435250D+00 -0.167891D+01 -0.765950D+00 -0.773313D+00
                51            52            53            54            55 
      1  -0.765950D+00  0.786708D+00 -0.540900D+00 -0.406158D+00  0.428402D+01
      2  -0.773313D+00 -0.540900D+00 -0.766934D-01 -0.423679D+01  0.220939D+01
      3  -0.110190D+01 -0.406158D+00 -0.423679D+01  0.139766D+01 -0.158174D+01
                56            57            58            59            60 
      1   0.220939D+01 -0.158174D+01  0.224992D+01 -0.432718D+01  0.762070D+00
      2   0.101087D+02 -0.842343D-01 -0.432718D+01  0.525291D+00  0.832124D+00
      3  -0.842343D-01  0.138716D+01  0.762070D+00  0.832124D+00  0.111007D+01
                61            62            63            64            65 
      1  -0.665697D+00  0.811465D+00  0.107893D+01 -0.717114D-01 -0.216556D+01
      2   0.811465D+00  0.677230D-01  0.469801D+01 -0.216556D+01 -0.145273D+02
      3   0.107893D+01  0.469801D+01 -0.138579D+01  0.192708D+00  0.136190D+01
                66            67            68            69            70 
      1   0.192708D+00  0.160976D+02 -0.982801D+00 -0.723271D+00 -0.617664D+01
      2   0.136190D+01 -0.982801D+00 -0.719627D+01  0.128081D+01  0.819746D-01
      3  -0.206598D+01 -0.723271D+00  0.128081D+01  0.141861D+01 -0.595043D+01
                71            72            73            74            75 
      1   0.819746D-01 -0.595043D+01 -0.617331D+02  0.618086D+01  0.172576D+01
      2   0.302034D+01  0.267862D+01  0.618086D+01 -0.541300D+01  0.355889D+00
      3   0.267862D+01  0.654243D+00  0.172576D+01  0.355889D+00 -0.147113D+01
                76            77            78            79            80 
      1   0.839183D+01 -0.386981D+01 -0.997760D+00  0.178610D+01 -0.111207D+01
      2  -0.386981D+01  0.176774D+02 -0.132240D+01 -0.111207D+01 -0.835768D+00
      3  -0.997760D+00 -0.132240D+01 -0.342685D+00 -0.668703D+01  0.739834D+00
                81            82            83            84            85 
      1  -0.668703D+01  0.514825D+02 -0.125018D+02 -0.134967D+01 -0.276735D+02
      2   0.739834D+00 -0.125018D+02  0.115611D+02 -0.534548D+00  0.350163D+01
      3   0.112984D+01 -0.134967D+01 -0.534548D+00  0.402962D+00  0.461002D+00
                86            87            88            89            90 
      1   0.350163D+01  0.461002D+00 -0.468706D+01  0.151525D+00 -0.596350D+00
      2  -0.766808D+01  0.851912D-01  0.151525D+00 -0.905033D+00 -0.344944D+01
      3   0.851912D-01 -0.186903D+01 -0.596350D+00 -0.344944D+01  0.148018D+01
                91            92            93            94            95 
      1   0.127576D+02 -0.168546D+01 -0.114412D+01  0.702446D+01  0.234832D+01
      2  -0.168546D+01  0.231949D+01  0.921592D-01  0.234832D+01 -0.288611D+01
      3  -0.114412D+01  0.921592D-01  0.201105D+01 -0.737762D+00 -0.417421D+00
                96            97            98            99           100 
      1  -0.737762D+00  0.770467D+01  0.661535D+00  0.825328D+01 -0.111865D+02
      2  -0.417421D+00  0.661535D+00  0.206010D+00  0.257724D+01  0.448828D+01
      3   0.350588D+01  0.825328D+01  0.257724D+01 -0.465995D+00  0.251815D-01
               101           102           103           104           105 
      1   0.448828D+01  0.251815D-01 -0.210774D+01  0.364091D+01 -0.290342D+00
      2  -0.449516D+01  0.580651D-01  0.364091D+01  0.927086D+00 -0.463720D+00
      3   0.580651D-01  0.224792D+00 -0.290342D+00 -0.463720D+00 -0.100067D+01
               106           107           108           109           110 
      1   0.138864D+01 -0.712506D+00  0.965413D-01  0.181693D+01 -0.483833D+01
      2  -0.712506D+00  0.509754D+00  0.801689D+00 -0.483833D+01  0.213164D+01
      3   0.965413D-01  0.801689D+00 -0.871464D-01  0.270096D+00  0.787395D+00
               111           112           113           114           115 
      1   0.270096D+00 -0.389819D+01 -0.253082D+01  0.888828D+00 -0.294461D+00
      2   0.787395D+00 -0.253082D+01  0.196562D+01  0.108190D+01  0.999807D+00
      3  -0.897140D-01  0.888828D+00  0.108190D+01  0.607960D+01 -0.275794D+01
               116           117           118           119           120 
      1   0.999807D+00 -0.275794D+01  0.611529D+01 -0.332586D+01 -0.260715D+00
      2   0.568061D+00  0.478183D+01 -0.332586D+01  0.290799D+01  0.432873D-02
      3   0.478183D+01 -0.113529D+01 -0.260715D+00  0.432873D-02  0.255976D+00
               121           122           123           124           125 
      1  -0.480685D+01  0.477227D+01 -0.150005D+00 -0.296496D+00 -0.224250D+00
      2   0.477227D+01 -0.575926D+01  0.910198D-01 -0.224250D+00  0.266606D+00
      3  -0.150005D+00  0.910198D-01 -0.550817D+00 -0.429915D+00 -0.939235D-01
               126           127           128           129           130 
      1  -0.429915D+00  0.182276D+01  0.286393D+01 -0.394865D+00  0.352076D+01
      2  -0.939235D-01  0.286393D+01  0.230245D+01 -0.444968D+00  0.387732D+01
      3   0.139822D+00 -0.394865D+00 -0.444968D+00  0.421492D+00 -0.593379D+00
               131           132           133           134           135 
      1   0.387732D+01 -0.593379D+00 -0.522698D+00 -0.639989D+00  0.349982D+00
      2   0.789034D+01 -0.102366D+01 -0.639989D+00 -0.101430D+01  0.250623D+00
      3  -0.102366D+01  0.100957D+01  0.349982D+00  0.250623D+00 -0.190874D+00
               136           137           138           139           140 
      1  -0.549923D+00 -0.165940D+01  0.224816D+00 -0.327083D+00 -0.112989D+01
      2  -0.165940D+01 -0.237955D+01  0.396691D+00 -0.112989D+01 -0.958447D+01
      3   0.224816D+00  0.396691D+00 -0.253890D+00  0.109061D+00  0.107016D+01
               141           142           143           144           145 
      1   0.109061D+00  0.126712D+00  0.305935D+00  0.433248D-01  0.980781D+00
      2   0.107016D+01  0.305935D+00  0.121493D+01 -0.255164D+00  0.181476D+01
      3  -0.922626D+00  0.433248D-01 -0.255164D+00  0.136154D+00 -0.248607D+00
               146           147           148           149           150 
      1   0.181476D+01 -0.248607D+00  0.848750D+00  0.174116D+01 -0.143966D+00
      2   0.276859D+01 -0.418752D+00  0.174116D+01  0.110005D+02 -0.110487D+01
      3  -0.418752D+00  0.249011D+00 -0.143966D+00 -0.110487D+01  0.958405D+00
               151           152           153           154           155 
      1   0.609459D+00 -0.449381D+00  0.190740D+00 -0.570671D+01  0.361785D+01
      2  -0.449381D+00 -0.140283D+01  0.247600D+00  0.361785D+01 -0.370297D+01
      3   0.190740D+00  0.247600D+00 -0.121392D+00  0.276418D+00 -0.490648D-01
               156           157           158           159           160 
      1   0.276418D+00  0.379014D+01 -0.485715D+01  0.152674D+00  0.748344D-01
      2  -0.490648D-01 -0.485715D+01  0.654998D+01  0.143015D-01  0.309876D+00
      3  -0.410524D+00  0.152674D+00  0.143015D-01  0.692189D+00  0.348012D+00
               161           162           163           164           165 
      1   0.309876D+00  0.348012D+00 -0.183894D+01 -0.211302D+01  0.350870D+00
      2  -0.300075D+00  0.300290D+00 -0.211302D+01 -0.921176D+00  0.270911D+00
      3   0.300290D+00 -0.174275D+00  0.350870D+00  0.270911D+00 -0.377481D+00
               166           167           168           169           170 
      1  -0.281558D+01 -0.293125D+01  0.494769D+00 -0.230847D+00  0.330999D+00
      2  -0.293125D+01 -0.568106D+01  0.802037D+00  0.330999D+00  0.429392D+00
      3   0.494769D+00  0.802037D+00 -0.919834D+00 -0.396284D+00 -0.212579D+00
               171           172           173           174           175 
      1  -0.396284D+00 -0.171550D+01  0.236777D+01  0.207865D+00  0.461029D+01
      2  -0.212579D+00  0.236777D+01 -0.172954D+01 -0.263455D+00 -0.250308D+01
      3  -0.708834D-02  0.207865D+00 -0.263455D+00 -0.903640D+00 -0.614198D+00
               176           177           178           179           180 
      1  -0.250308D+01 -0.614198D+00 -0.867287D-01 -0.275182D+00 -0.127145D+01
      2   0.508143D+01  0.404859D+00 -0.275182D+00  0.277672D+00  0.564542D+00
      3   0.404859D+00  0.101055D+01 -0.127145D+01  0.564542D+00  0.382071D+00
               181           182           183           184           185 
      1   0.110218D+02  0.161238D+01 -0.192255D+01 -0.226531D+01 -0.185380D+01
      2   0.161238D+01 -0.143593D+01 -0.535808D+00 -0.185380D+01  0.244720D+01
      3  -0.192255D+01 -0.535808D+00 -0.294123D+01  0.117145D+01 -0.356103D+00
               186           187           188           189           190 
      1   0.117145D+01  0.401598D+01  0.532223D+00 -0.458462D+01  0.851545D+01
      2  -0.356103D+00  0.532223D+00  0.112527D+00 -0.325740D+01 -0.741874D+00
      3  -0.516139D+01 -0.458462D+01 -0.325740D+01 -0.871795D+00  0.360975D+01
               191           192           193           194           195 
      1  -0.741874D+00  0.360975D+01 -0.430500D+01 -0.926504D+00 -0.290191D+01
      2  -0.303353D+00 -0.102510D+01 -0.926504D+00  0.469188D-02  0.105744D-01
      3  -0.102510D+01  0.168855D+01 -0.290191D+01  0.105744D-01 -0.532672D+01
               196           197           198           199           200 
      1   0.973763D+01 -0.169127D+01  0.727842D+00  0.147057D+02  0.197154D+01
      2  -0.169127D+01  0.227305D+00 -0.287380D+01  0.197154D+01  0.943800D+00
      3   0.727842D+00 -0.287380D+01  0.871969D+00 -0.135656D+01 -0.201382D+00
               201           202           203           204           205 
      1  -0.135656D+01  0.576288D+01  0.170237D+01 -0.527029D+00 -0.174101D+01
      2  -0.201382D+00  0.170237D+01  0.136014D+01 -0.298608D+00 -0.229466D+00
      3   0.118751D+01 -0.527029D+00 -0.298608D+00  0.299370D+00  0.181139D+01
               206           207           208           209           210 
      1  -0.229466D+00  0.181139D+01 -0.109266D+01  0.160245D+00 -0.760058D+00
      2  -0.270550D+00 -0.178523D+00  0.160245D+00 -0.681172D+00 -0.130792D+00
      3  -0.178523D+00 -0.415292D+00 -0.760058D+00 -0.130792D+00 -0.577036D+00
               211           212           213           214           215 
      1  -0.199533D+01  0.237081D+01  0.153285D+01 -0.381402D+01  0.180177D+01
      2   0.237081D+01 -0.383200D+01 -0.276142D+01  0.180177D+01 -0.273301D+01
      3   0.153285D+01 -0.276142D+01 -0.313499D+01  0.278790D+01 -0.328077D+01
               216           217           218           219           220 
      1   0.278790D+01  0.294623D+00 -0.847120D-01  0.135998D+01 -0.170173D+01
      2  -0.328077D+01 -0.847120D-01 -0.244722D+00 -0.444167D+00  0.212899D+01
      3  -0.451605D+01  0.135998D+01 -0.444167D+00  0.798124D-01 -0.152884D+01
               221           222           223           224           225 
      1   0.212899D+01 -0.152884D+01  0.552780D+01 -0.229036D+01  0.340716D+01
      2  -0.245783D+01  0.181632D+01 -0.229036D+01  0.221957D+01 -0.286538D+01
      3   0.181632D+01 -0.251924D+01  0.340716D+01 -0.286538D+01  0.529964D+01
               226           227           228           229           230 
      1   0.471177D-01  0.426457D+00  0.105328D+01  0.162408D+01  0.334424D+00
      2   0.426457D+00  0.567194D+00  0.415980D+00  0.334424D+00  0.106877D+01
      3   0.105328D+01  0.415980D+00  0.249729D+01 -0.394994D+00  0.159562D+01
               231           232           233           234           235 
      1  -0.394994D+00  0.132897D+01  0.173052D+00  0.192601D+00  0.297445D-01
      2   0.159562D+01  0.173052D+00  0.124920D+01  0.175587D+01 -0.671291D+00
      3   0.371996D+01  0.192601D+00  0.175587D+01  0.791870D+01 -0.111428D+00
               236           237           238           239           240 
      1  -0.671291D+00 -0.111428D+00 -0.224095D+01 -0.335075D-01  0.427183D+00
      2   0.112040D+01 -0.308625D+00 -0.335075D-01 -0.514886D+01  0.113879D+01
      3  -0.308625D+00  0.108099D+01  0.427183D+00  0.113879D+01 -0.137973D+01
               241           242           243           244           245 
      1  -0.699084D+00 -0.233842D+00  0.529890D+00 -0.164924D+02 -0.199078D+01
      2  -0.233842D+00  0.361907D+00 -0.417352D+00 -0.199078D+01 -0.100246D+01
      3   0.529890D+00 -0.417352D+00  0.237623D+00  0.424195D+01  0.609484D+00
               246           247           248           249           250 
      1   0.424195D+01 -0.184783D+01 -0.142023D+01  0.242550D+00  0.993288D+00
      2   0.609484D+00 -0.142023D+01 -0.571693D+00  0.492754D+00  0.147245D+00
      3  -0.244612D+01  0.242550D+00  0.492754D+00  0.274559D+00 -0.157126D+01
               251           252           253           254           255 
      1   0.147245D+00 -0.157126D+01 -0.123008D+02  0.268733D+01 -0.490457D+01
      2  -0.406182D-01  0.626558D-01  0.268733D+01 -0.136599D+01  0.863199D+00
      3   0.626558D-01  0.101477D+01 -0.490457D+01  0.863199D+00 -0.307284D+01
               256           257           258           259           260 
      1   0.115096D+02 -0.188487D+01  0.330674D+01 -0.160522D+02  0.119396D+01
      2  -0.188487D+01  0.388520D+01 -0.226093D+01  0.119396D+01 -0.202588D+01
      3   0.330674D+01 -0.226093D+01  0.399708D+01 -0.673984D+01  0.274681D+01
               261           262           263           264           265 
      1  -0.673984D+01  0.253765D+01 -0.439113D+00  0.101752D+01 -0.861261D+01
      2   0.274681D+01 -0.439113D+00  0.116660D+01  0.132810D+01 -0.605638D+00
      3  -0.775099D+01  0.101752D+01  0.132810D+01  0.179313D+01  0.117136D+01
               266           267           268           269           270 
      1  -0.605638D+00  0.117136D+01  0.165344D+01  0.263078D+01  0.294881D+01
      2  -0.338615D+01  0.114027D+01  0.263078D+01  0.306929D+01  0.208110D+01
      3   0.114027D+01  0.168761D+01  0.294881D+01  0.208110D+01  0.480953D+01
               271           272           273           274           275 
      1  -0.126824D+01 -0.171257D+01 -0.154289D+01 -0.825604D+00 -0.150590D+01
      2  -0.171257D+01 -0.152462D+01 -0.119164D+01 -0.150590D+01 -0.303358D+01
      3  -0.154289D+01 -0.119164D+01 -0.160052D+01 -0.105771D+01 -0.168370D+01
               276           277           278           279 
      1  -0.105771D+01 -0.267693D+01 -0.245689D+01 -0.328859D+01
      2  -0.168370D+01 -0.245689D+01 -0.361394D+01 -0.361857D+01
      3  -0.191382D+01 -0.328859D+01 -0.361857D+01 -0.566395D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.490441D+00  0.536721D+01 -0.212099D+01  0.521589D+01 -0.153104D+01
      2  -0.138624D+02  0.476413D+01 -0.189351D+01  0.808480D+01 -0.465981D+01
      3   0.101195D+02  0.180097D+02 -0.135355D+01  0.467598D+02 -0.550132D+01
                 6             7             8             9            10 
      1   0.267777D+01 -0.865443D+00  0.156333D+02 -0.154698D+01 -0.608538D+00
      2  -0.484165D+00  0.271790D+01  0.285468D+01 -0.204058D+01 -0.142112D+01
      3  -0.295046D+01 -0.519834D+01 -0.273804D+01  0.512130D+01 -0.258362D+02
                11            12            13            14            15 
      1   0.393161D+01  0.398781D+01 -0.731867D+00 -0.134313D+00 -0.196001D+01
      2   0.165296D+01  0.647390D+01  0.237750D+01 -0.212074D+01 -0.286593D+01
      3   0.589105D+01 -0.120617D+00 -0.263302D+02 -0.109531D+02  0.326222D+01
                16            17            18            19            20 
      1   0.126093D+02  0.557254D+01 -0.282347D+01 -0.244774D+01 -0.441268D+01
      2  -0.548863D+01 -0.124141D+02  0.254471D+00  0.125297D+02 -0.670122D+01
      3   0.460538D+01  0.103173D+01 -0.615585D+00 -0.366930D+02 -0.290027D+02
                21            22            23            24            25 
      1   0.104735D+01 -0.124905D+01  0.278854D+01 -0.281196D+01 -0.808288D+01
      2   0.332941D+01 -0.880025D+01  0.621323D+01  0.286030D+01 -0.175189D+02
      3   0.442528D+01  0.838356D+01  0.110946D+02 -0.264581D+01  0.442953D+01
                26            27            28            29            30 
      1   0.296273D+01  0.884398D+00  0.105797D+01  0.497030D+01 -0.884974D+00
      2   0.194674D+02 -0.204262D+01 -0.184311D+02  0.922291D+01 -0.360616D+01
      3  -0.141548D+01 -0.959314D+01  0.320751D+02  0.382280D+02 -0.586618D+01
                31            32            33            34            35 
      1   0.531721D+01 -0.111052D+00  0.321066D+00 -0.551810D+01  0.670173D+01
      2  -0.611422D+01 -0.234339D+01  0.107052D+01 -0.200032D+02  0.162903D+01
      3   0.765637D+02 -0.316610D+02 -0.277241D+01 -0.842361D+01 -0.164741D+01
                36            37            38            39            40 
      1   0.122721D+00 -0.158661D+01  0.353872D+01 -0.498943D+00  0.340907D+01
      2   0.158232D+01  0.160060D+02  0.254938D+01  0.118510D+00  0.114355D+02
      3   0.551708D+00 -0.286696D+02  0.482716D+02 -0.507369D+01  0.248572D+02
                41            42            43            44            45 
      1  -0.381238D+01 -0.325775D+00 -0.421194D+01  0.805830D+01 -0.655485D+00
      2  -0.491583D+01 -0.227281D+00 -0.236202D+02  0.266167D+01  0.127755D+01
      3  -0.306600D+02  0.144679D+01  0.343537D+01 -0.258905D+01  0.995647D+00
                46            47            48            49            50 
      1   0.274665D+01 -0.549133D+01 -0.328746D+01 -0.128104D+01  0.242808D+01
      2  -0.196042D+01 -0.488719D+01 -0.411378D+01 -0.471993D+00  0.207637D+01
      3   0.441940D+02 -0.370087D+02  0.327954D+01 -0.114886D+02  0.357665D+02
                51            52            53            54            55 
      1  -0.193132D+01 -0.745779D+01 -0.357550D+01  0.190132D+01  0.177223D+01
      2  -0.195473D+01 -0.240471D+02 -0.353077D+01  0.410131D+01  0.698073D+01
      3  -0.205419D+01  0.165630D+01  0.211354D+01  0.114005D+02  0.356814D+02
                56            57            58            59            60 
      1  -0.143627D+01 -0.385919D+01 -0.340162D+01  0.196656D+01 -0.279653D+01
      2  -0.610469D+01  0.113170D+01 -0.491814D+01  0.471534D+01 -0.402660D+00
      3  -0.344199D+02  0.167214D+01 -0.975658D+01  0.274814D+02 -0.148799D+01
                61            62            63            64            65 
      1  -0.886132D+01 -0.592022D+01  0.389731D+01  0.629277D-01 -0.222218D+01
      2  -0.185890D+02 -0.903061D-01  0.159775D+01 -0.631516D+01  0.124625D+01
      3  -0.218223D+00  0.165820D+01  0.501959D+01 -0.180998D+02  0.611892D+01
                66            67            68            69            70 
      1   0.489057D+01  0.389579D+01 -0.198308D+01 -0.839327D+00  0.154771D+02
      2   0.263230D+01 -0.101616D+02 -0.122782D+01 -0.247839D+01 -0.175350D+01
      3  -0.191466D+01  0.107141D+02 -0.939739D+00 -0.183628D+01 -0.499805D+01
                71            72            73            74            75 
      1   0.610096D+01 -0.277311D+01 -0.855957D+01  0.216591D+01 -0.650374D+00
      2  -0.957285D+01  0.277361D+01  0.235147D+02 -0.162030D+01 -0.355703D+00
      3  -0.613032D+00 -0.751537D+01 -0.577825D+02  0.162874D+02 -0.690993D-01
                76            77            78            79            80 
      1   0.153407D+01  0.529979D+01 -0.323787D+00  0.279007D+01  0.151640D+02
      2   0.449438D+00  0.720591D+00  0.218342D+01 -0.107587D+02  0.268146D+01
      3   0.425758D+02 -0.125478D+02  0.154385D+01 -0.924635D+00 -0.215754D+01
                81            82            83            84            85 
      1  -0.296653D+01  0.231434D+01 -0.128647D+01  0.121459D+01 -0.210151D+01
      2   0.165477D+01 -0.243890D+02  0.629221D+00 -0.281083D+00  0.120340D+02
      3  -0.480201D+01  0.311718D+02 -0.454328D+02  0.526378D+01 -0.181072D+02
                86            87            88            89            90 
      1  -0.942634D+00 -0.802526D+00 -0.528950D+01  0.387225D+01 -0.424508D+00
      2   0.373394D+00  0.215786D+01 -0.196653D+02  0.103849D+02 -0.449642D+00
      3   0.626049D+01 -0.107349D+01 -0.126490D+01  0.247930D+01 -0.208353D+01
                91            92            93            94            95 
      1   0.470948D+01  0.209152D+01  0.886309D+00  0.586427D+01 -0.189204D+01
      2  -0.785731D+01  0.476707D+00 -0.140604D+01 -0.636042D+01 -0.948003D+00
      3   0.178831D+02  0.121736D+01  0.112139D+01  0.343335D+02 -0.169583D+02
                96            97            98            99           100 
      1  -0.535655D+01  0.433491D+01  0.197471D+01  0.176467D+01  0.118530D+01
      2  -0.103436D+02 -0.444210D+02 -0.920505D+01 -0.371688D+01  0.605264D+01
      3  -0.178393D+01  0.124949D+02 -0.503385D+00  0.180880D+02 -0.243540D+01
               101           102           103           104           105 
      1  -0.538062D+01  0.273039D+01 -0.310311D-01 -0.120515D+01 -0.505222D+01
      2  -0.382988D+01  0.146694D+02 -0.114322D+01 -0.189767D+01 -0.590894D+01
      3  -0.436459D+02  0.206868D+01 -0.571280D+01 -0.669174D+01  0.167542D+01
               106           107           108           109           110 
      1   0.188583D+01 -0.190543D+01  0.141775D+00  0.122481D+01  0.204512D+01
      2  -0.683167D+01  0.299911D+01 -0.893803D+00  0.334523D+00  0.506547D+01
      3   0.767692D+00  0.464421D+01 -0.396689D+01  0.368901D+02  0.623843D+01
               111           112           113           114           115 
      1  -0.111932D+01  0.141236D+01 -0.996889D+00  0.613029D+01 -0.135697D+02
      2  -0.120461D+01  0.612556D+01  0.486476D+01  0.380120D+02 -0.199106D+02
      3  -0.716664D+01  0.259622D+02 -0.301233D+02 -0.700406D+01 -0.649631D+01
               116           117           118           119           120 
      1   0.924665D+01 -0.235532D+01 -0.132580D+01  0.486133D+00  0.166775D+01
      2   0.306494D+02 -0.753542D+01 -0.214856D+01  0.630238D+00  0.155669D+01
      3  -0.483357D+01 -0.304891D+02 -0.462322D+01 -0.448984D+01  0.710635D+00
               121           122           123           124           125 
      1   0.543179D-01 -0.213629D+00 -0.274767D+01 -0.252271D+01  0.999589D+00
      2   0.210341D+00 -0.282005D+00 -0.288900D+01 -0.242408D+01  0.200611D-01
      3  -0.529772D+01  0.132291D+02 -0.180155D+00  0.157609D+01 -0.836830D+00
               126           127           128           129           130 
      1   0.386861D+00  0.148473D+00  0.205554D+00 -0.143700D+01  0.286706D+00
      2   0.647244D+00 -0.899983D+00 -0.105324D+01  0.174491D+01 -0.113968D+01
      3   0.130918D+01 -0.429186D+01 -0.383631D+01  0.749709D+00 -0.293535D+01
               131           132           133           134           135 
      1  -0.175629D+00 -0.367202D+01  0.599050D-01  0.154652D+01  0.382508D+00
      2  -0.275998D+01  0.368877D+01 -0.138414D+01  0.674481D-01 -0.396020D+00
      3  -0.189754D+02  0.211679D+01  0.104955D+01  0.219002D+01  0.583573D-01
               136           137           138           139           140 
      1   0.307946D+00  0.140012D+00 -0.144978D+01 -0.463875D-01 -0.505790D+00
      2   0.853235D+00  0.969494D+00  0.108495D+00  0.516539D+00  0.185614D+01
      3   0.807515D+01  0.601044D+01 -0.128400D+01  0.577666D+01  0.194733D+02
               141           142           143           144           145 
      1  -0.419107D+01  0.579109D+00  0.279602D+01  0.119334D+00  0.103889D+01
      2  -0.453384D+00  0.635652D-01 -0.606543D-01 -0.145879D+00  0.488970D+00
      3  -0.226572D+01 -0.153987D+01 -0.281394D+01 -0.232192D+00  0.565780D+01
               146           147           148           149           150 
      1   0.109487D+01 -0.174657D+01  0.757960D+00  0.288842D+01 -0.516431D+01
      2   0.356798D-01  0.848307D+00  0.210309D+00 -0.151118D+00  0.122076D+01
      3   0.322357D+01 -0.875641D+00  0.521766D+01  0.414712D+01 -0.627314D+00
               151           152           153           154           155 
      1   0.134095D+01  0.194552D+01  0.315401D+00  0.130839D+00 -0.517769D+00
      2  -0.127734D+01  0.107707D+01 -0.648783D+00 -0.164806D+00 -0.232738D+00
      3  -0.293552D+00 -0.117403D+01 -0.677580D+00 -0.102285D+02  0.145326D+01
               156           157           158           159           160 
      1   0.250080D+01 -0.179520D+01  0.161390D+01 -0.339307D+01 -0.271935D+01
      2   0.179343D+01 -0.729862D+00  0.468709D+00 -0.260352D+01 -0.203628D+01
      3   0.517990D+00  0.336012D+01  0.625127D+00  0.288303D+00  0.141308D+01
               161           162           163           164           165 
      1   0.777461D+00  0.652471D+00 -0.722700D+00  0.553110D-01 -0.143905D+01
      2  -0.912865D-01  0.313165D+00  0.425407D+00  0.485574D+00  0.234082D+00
      3   0.300537D+00  0.119653D+01  0.131616D+01  0.106610D+01 -0.118976D+00
               166           167           168           169           170 
      1  -0.715864D+00 -0.202836D+01 -0.323247D+01 -0.137664D+01  0.204751D+01
      2   0.999903D+00 -0.904815D-01  0.153985D+01 -0.867115D+00 -0.102650D+01
      3   0.452343D+01 -0.453168D+01  0.305393D+00 -0.165415D+01  0.297293D+00
               171           172           173           174           175 
      1   0.107770D+00  0.105228D+01 -0.802993D+00  0.840861D+00 -0.239437D+00
      2   0.740170D+00 -0.144642D+00 -0.434775D+00  0.380478D+01  0.264892D+00
      3   0.565315D+00  0.885164D+01 -0.687946D+01 -0.976621D+00 -0.296458D+01
               176           177           178           179           180 
      1   0.300853D+01 -0.231056D+01  0.103711D+00  0.149211D+01  0.303635D+00
      2   0.473994D+00 -0.368396D+01  0.255259D+01 -0.130660D+01 -0.695291D+00
      3   0.186809D+02  0.430068D+00 -0.179014D+01  0.118114D+01  0.988271D+00
               181           182           183           184           185 
      1   0.287594D+01 -0.570811D+01 -0.205573D+01 -0.331608D+01  0.727833D+01
      2  -0.140971D+02 -0.205442D+01  0.177471D+02 -0.518232D+01  0.571457D+01
      3  -0.129747D+01 -0.126082D+02  0.175589D+01 -0.125869D+02  0.151182D+02
               186           187           188           189           190 
      1  -0.518797D+01  0.113624D+01 -0.276721D+00 -0.947018D+01  0.144073D+00
      2   0.174926D+02  0.147578D+02  0.111225D+02  0.104458D+02  0.106944D+02
      3   0.153043D+01  0.844491D+01 -0.257364D+00 -0.134269D+02 -0.726247D+01
               191           192           193           194           195 
      1  -0.775114D+01 -0.378711D+01 -0.843981D+01  0.199598D+01 -0.339911D+00
      2   0.534471D+01  0.341052D+01  0.240748D+02  0.148346D+01  0.202587D+02
      3  -0.620278D+01 -0.611807D+01 -0.713280D+01  0.378140D-01  0.238972D+01
               196           197           198           199           200 
      1   0.281556D+01 -0.149063D+01  0.574834D+00 -0.159330D+01 -0.855475D+00
      2  -0.107093D+02  0.980712D+01 -0.139238D+02 -0.425881D+01 -0.857623D+00
      3  -0.151030D+01  0.180167D+02 -0.128238D+02 -0.224177D+02 -0.109956D+02
               201           202           203           204           205 
      1   0.345122D+00 -0.818310D+00 -0.691994D+00 -0.707163D+00  0.179205D+01
      2   0.913929D+01 -0.184042D+01 -0.127402D+01  0.220369D+01  0.861447D+01
      3   0.241319D+01 -0.130033D+02 -0.935171D+01  0.213718D+01  0.269029D+01
               206           207           208           209           210 
      1   0.224471D+00 -0.794633D-01  0.653782D+00  0.587563D-02 -0.122550D+01
      2  -0.101892D+01 -0.214910D+01 -0.583751D+01 -0.113169D+01 -0.270627D+01
      3   0.222060D+01  0.417971D+00  0.156729D+01  0.297717D+01  0.169135D+01
               211           212           213           214           215 
      1   0.680944D+00  0.142220D+00 -0.352073D+01  0.266255D+01  0.153866D+00
      2   0.571896D+01 -0.143591D+02 -0.179203D+02  0.112709D+02 -0.187538D+02
      3  -0.114469D+02  0.277363D+02  0.160311D+02 -0.746583D+01  0.184199D+02
               216           217           218           219           220 
      1  -0.443016D+01  0.289381D+00 -0.220636D+00 -0.603529D-01 -0.191045D+01
      2  -0.246335D+02  0.916899D+01 -0.273454D+01  0.123436D+01 -0.794384D+01
      3   0.196313D+02  0.194278D+01 -0.302687D+00  0.184607D+01 -0.108393D+02
               221           222           223           224           225 
      1   0.220328D+01 -0.401133D+01  0.496778D+01 -0.122239D+01  0.715385D+01
      2   0.106643D+02 -0.154172D+02  0.161784D+02 -0.177674D+02  0.314484D+02
      3   0.190655D+02 -0.108629D+02  0.975727D+01 -0.157914D+02  0.174429D+02
               226           227           228           229           230 
      1   0.133609D+01  0.264450D+01  0.117371D+01  0.175745D+01  0.371986D+01
      2  -0.591152D+01 -0.229330D+01 -0.992625D+01 -0.227906D+01 -0.642832D+01
      3   0.165538D+01  0.206407D+01  0.371099D-01  0.316078D+01  0.330182D+01
               231           232           233           234           235 
      1   0.312122D+01  0.650036D+00  0.589083D+01  0.686230D+01 -0.286561D+01
      2  -0.126668D+02 -0.549652D+01 -0.733415D+01 -0.288014D+02 -0.141485D+01
      3   0.423211D+01  0.200950D-01  0.374916D+01  0.425596D+01 -0.697440D+01
               236           237           238           239           240 
      1   0.295795D+01  0.113271D+01  0.127140D+01 -0.115739D+02 -0.142105D+01
      2   0.264612D+01 -0.285907D+01  0.250667D+01 -0.586745D+01  0.394787D+01
      3   0.578919D+01 -0.727417D+00  0.452156D+01 -0.213319D+02  0.373662D+01
               241           242           243           244           245 
      1   0.434232D+00  0.878556D+00 -0.151184D+01 -0.198952D+01 -0.276030D+01
      2  -0.159113D+01  0.140364D+01 -0.178487D+01  0.120203D+02  0.404764D+00
      3   0.687633D+00  0.702609D+00 -0.243778D+01 -0.267864D+01 -0.706729D+01
               246           247           248           249           250 
      1  -0.263401D+00 -0.240849D+01 -0.165981D+01  0.118268D-01 -0.599772D+00
      2   0.607687D+01  0.169316D+01 -0.568059D-01 -0.116275D+01  0.270059D+01
      3   0.181678D+01 -0.376731D+01 -0.345450D+01  0.148209D+01 -0.150717D+01
               251           252           253           254           255 
      1   0.857447D+00  0.807071D+00 -0.518259D+01  0.559093D+01  0.258823D+01
      2  -0.564000D+00 -0.155383D+01  0.956337D+01 -0.230296D+01  0.120332D+02
      3   0.123600D+01  0.778493D+00  0.586747D+01 -0.101777D+02  0.367275D+01
               256           257           258           259           260 
      1   0.546194D+01 -0.617872D+01 -0.155982D+01 -0.256534D+01  0.968385D+01
      2  -0.203182D+02  0.692598D+01 -0.157468D+02  0.259816D+02 -0.967675D+01
      3   0.300612D+01  0.185358D+02 -0.836855D+01 -0.110497D+02 -0.181922D+02
               261           262           263           264           265 
      1  -0.560591D+00  0.457430D+01  0.114497D+01  0.229762D+01 -0.326977D+01
      2   0.340212D+02 -0.730088D+01 -0.618074D+01 -0.434208D+01 -0.176501D+01
      3   0.824126D+01  0.674748D+00  0.260936D+01  0.432245D+01 -0.212603D+01
               266           267           268           269           270 
      1   0.335987D+01 -0.624693D+01  0.130358D+01  0.149088D+01  0.674298D+01
      2  -0.293167D+01 -0.583869D+01 -0.891251D+01 -0.669827D+01 -0.158809D+02
      3  -0.173006D+02  0.438951D+01  0.815413D+01  0.843175D+01  0.516507D+01
               271           272           273           274           275 
      1  -0.253291D+00  0.409468D+00 -0.141807D+01 -0.104093D+01 -0.556619D+00
      2   0.365976D+01  0.379531D+01  0.501105D+01  0.246588D+01  0.576334D+01
      3  -0.400621D+01 -0.498434D+01 -0.319858D+01 -0.281504D+01 -0.989881D+01
               276           277           278           279 
      1  -0.275986D+01 -0.162897D+01 -0.824462D-01 -0.602458D+01
      2   0.641190D+01  0.906293D+01  0.126127D+02  0.205545D+02
      3  -0.520425D+01 -0.684742D+01 -0.131093D+02 -0.125635D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.122779D+03 -0.384980D+02 -0.473506D+01  0.132274D+02 -0.233120D+02
      2  -0.662402D+02  0.251862D+02  0.729277D+00 -0.138564D+02  0.258738D+02
      3  -0.565384D+02  0.133118D+02  0.400578D+01  0.628960D+00 -0.256183D+01
      4  -0.213162D+02  0.304401D+02 -0.208853D+01 -0.211785D+02 -0.617288D+02
      5  -0.796243D+00 -0.136022D+01 -0.118252D+01  0.788680D+01  0.442263D+01
      6  -0.753847D+00  0.996300D+00  0.313754D+01  0.558243D+01 -0.344994D+01
                 6             7             8             9            10 
      1   0.351883D+01 -0.222472D+01  0.748188D+01  0.275517D+02 -0.310313D+01
      2  -0.432224D+01  0.312430D+01 -0.664429D+01 -0.249821D+02  0.440689D+00
      3   0.803405D+00 -0.899578D+00 -0.837595D+00 -0.256962D+01  0.266244D+01
      4   0.853521D+01  0.973101D+01  0.216666D+01 -0.343458D+01  0.308955D+02
      5  -0.147971D+01  0.536276D+02 -0.927329D+01 -0.384575D+01  0.467456D+01
      6  -0.297085D+01  0.152689D-01  0.293687D+01  0.182897D+01 -0.522680D+01
                11            12            13            14            15 
      1   0.567326D+02 -0.405533D+01 -0.862331D+02  0.309536D+02  0.320567D+01
      2  -0.381638D+02  0.117567D+01  0.568571D+02 -0.260318D+02 -0.174287D+01
      3  -0.185688D+02  0.287965D+01  0.293760D+02 -0.492184D+01 -0.146280D+01
      4   0.379680D+02 -0.807830D+01  0.310069D+02  0.278058D+02 -0.809666D+01
      5  -0.889307D+01  0.143714D+02  0.540924D+01 -0.593190D+01 -0.801568D+01
      6   0.367585D+01 -0.809841D+01 -0.585148D+01  0.267977D+01  0.492968D+01
                16            17            18            19            20 
      1   0.137322D+02 -0.116736D+02  0.143286D+01 -0.112005D+03  0.217029D+02
      2  -0.118211D+02  0.907556D+01 -0.655273D+01  0.509720D+02 -0.111315D+02
      3  -0.191105D+01  0.259802D+01  0.511987D+01  0.610331D+02 -0.105715D+02
      4  -0.691341D+01 -0.932937D+01 -0.169474D+02  0.293957D+02 -0.354560D+02
      5   0.272531D+02 -0.184764D+02  0.272745D+01  0.902417D+01  0.566552D+01
      6  -0.172227D+02  0.107579D+02  0.246193D+01  0.527250D+01  0.110837D+01
                21            22            23            24            25 
      1   0.598589D+01  0.908713D+02 -0.138810D+02 -0.709006D+01  0.185464D+01
      2  -0.278234D+01 -0.570814D+02 -0.431235D+01  0.604238D+01  0.152237D+01
      3  -0.320355D+01 -0.337899D+02  0.181933D+02  0.104768D+01 -0.337701D+01
      4   0.521296D+01 -0.153702D+02  0.239237D+02  0.229472D+01  0.261513D+01
      5   0.365419D+01 -0.455572D+01  0.362750D+01  0.779627D+01  0.562405D+01
      6  -0.280909D+00  0.172169D+01  0.570833D+01  0.390764D+01  0.496596D+01
                26            27            28            29            30 
      1   0.194100D+01 -0.159337D+02  0.991830D+02 -0.145979D+02 -0.831793D+01
      2   0.342709D+01  0.187126D+01 -0.442625D+02  0.836991D+01  0.288364D+01
      3  -0.536809D+01  0.140624D+02 -0.549205D+02  0.622796D+01  0.543429D+01
      4   0.846815D+01  0.260888D+02 -0.305280D+02  0.516265D+01  0.118231D+01
      5   0.271456D+02 -0.398773D+01 -0.775366D+01 -0.696189D+00 -0.613358D+01
      6   0.155949D+02 -0.192805D+01 -0.329252D+01  0.121024D+01  0.115965D+01
                31            32            33            34            35 
      1   0.864829D+02 -0.306253D+02 -0.548698D+01 -0.196682D+02  0.366639D+01
      2  -0.388188D+02  0.266561D+02  0.100830D+01  0.853326D+01 -0.322001D+01
      3  -0.476641D+02  0.396919D+01  0.447868D+01  0.111349D+02 -0.446383D+00
      4  -0.158147D+02  0.140722D+02 -0.524013D+00  0.419067D+01 -0.937062D+00
      5   0.329254D+01 -0.277042D+01  0.706571D+00  0.428771D+00  0.241367D+01
      6  -0.292198D+01  0.576589D+00 -0.917028D+00  0.360902D+01  0.320900D+01
                36            37            38            39            40 
      1  -0.657299D+01 -0.902080D+02  0.497545D+02  0.120214D+01 -0.867135D+02
      2  -0.249109D+01  0.452626D+02 -0.302924D+02 -0.183987D+01  0.471441D+02
      3   0.906408D+01  0.449454D+02 -0.194621D+02  0.637732D+00  0.395694D+02
      4   0.216807D+01  0.562228D+02 -0.547959D+01 -0.255823D+01 -0.705747D+01
      5   0.231309D+01  0.286974D+01 -0.112321D+01  0.150045D+01 -0.941338D+00
      6   0.118639D+01 -0.345863D+00 -0.146605D+01  0.687137D+00  0.365765D+01
                41            42            43            44            45 
      1  -0.324554D-02  0.673249D+01  0.131988D+02 -0.661107D+01 -0.125521D+02
      2   0.251509D+01 -0.484320D+01 -0.635736D+01  0.312562D+01 -0.720937D+00
      3  -0.251185D+01 -0.188928D+01 -0.684147D+01  0.348545D+01  0.132731D+02
      4  -0.282803D+01  0.110895D+01 -0.502307D+01  0.101797D+01  0.673599D+00
      5   0.235611D+01 -0.158560D-01 -0.243176D+01 -0.141794D+01  0.154458D+01
      6  -0.303000D+01 -0.262598D-01  0.190344D+01  0.184644D+01  0.579388D+00
                46            47            48            49            50 
      1   0.859828D+01 -0.524839D+02  0.197583D+01  0.197124D+01  0.247458D+02
      2  -0.704680D+01  0.333783D+02 -0.952752D-01 -0.769946D+01 -0.232115D+02
      3  -0.155148D+01  0.191056D+02 -0.188056D+01  0.572822D+01 -0.153436D+01
      4  -0.399727D+02 -0.308107D+02  0.505994D+01  0.339352D+02 -0.180889D+02
      5  -0.336273D+01  0.541390D+01 -0.988615D+01 -0.122629D+01 -0.126337D+00
      6   0.439063D+01  0.191090D+01  0.610141D+01  0.700059D+00  0.580777D+01
                51            52            53            54            55 
      1  -0.516585D+01 -0.332837D+01 -0.634668D+00 -0.218435D+02  0.107240D+02
      2   0.516687D+01  0.328847D+01  0.583773D+01  0.768573D+01 -0.106218D+02
      3  -0.102694D-02  0.398973D-01 -0.520306D+01  0.141578D+02 -0.102174D+00
      4  -0.118895D+01 -0.867121D+00  0.463054D+01 -0.109500D+02  0.123833D+02
      5  -0.169194D+01  0.359009D+00 -0.130771D+02  0.662232D+01  0.799552D+01
      6   0.476764D+01  0.769931D+00  0.211131D+02 -0.440226D+01  0.109442D+01
                56            57            58            59            60 
      1  -0.477230D+02  0.158065D+00  0.235047D+02 -0.268039D+01 -0.419650D+01
      2   0.416483D+02 -0.295972D-01 -0.209736D+02 -0.919151D+01  0.523042D+01
      3   0.607466D+01 -0.128468D+00 -0.253110D+01  0.118719D+02 -0.103393D+01
      4  -0.494296D+01  0.169018D+00 -0.249282D+01 -0.129005D+02  0.276543D+01
      5   0.303970D+01 -0.530707D+00 -0.271139D+01  0.248642D+01  0.158534D+01
      6   0.624190D+01  0.733576D+01  0.128643D+01  0.775469D+01  0.684018D+01
                61            62            63            64            65 
      1  -0.603972D+01  0.563682D+00 -0.256632D+02 -0.718299D+01  0.708879D+02
      2   0.590961D+01  0.325534D+01  0.155495D+02  0.308048D+01 -0.603213D+02
      3   0.130114D+00 -0.381902D+01  0.101137D+02  0.410251D+01 -0.105666D+02
      4   0.580107D+00  0.559327D+01  0.693017D+01  0.301576D+01 -0.203403D+02
      5   0.392736D+01  0.122118D+01  0.204192D+01 -0.880556D+00 -0.425426D+01
      6   0.508678D+01  0.271513D+02 -0.396289D+01 -0.284539D+01 -0.175321D+00
                66            67            68            69            70 
      1  -0.518548D+01 -0.239317D+02  0.336544D+02 -0.650513D+01  0.118686D+02
      2   0.401942D+01  0.302014D+02 -0.371740D+02  0.306834D+01 -0.103843D+02
      3   0.116605D+01 -0.626973D+01  0.351962D+01  0.343679D+01 -0.148429D+01
      4   0.105576D+01  0.668254D+01  0.104678D+02 -0.279616D+01 -0.180787D+01
      5   0.660867D+01  0.115302D+01 -0.575891D+01 -0.697013D+01  0.285274D+02
      6  -0.864039D+01 -0.698755D+01  0.936520D+00  0.408219D+01 -0.202883D+02
                71            72            73            74            75 
      1  -0.161806D+02 -0.119637D+02  0.124605D+01  0.932292D+01  0.219612D+01
      2   0.137198D+02  0.322328D+01 -0.191118D+02 -0.113743D+02  0.205762D+01
      3   0.246078D+01  0.874045D+01  0.178657D+02  0.205142D+01 -0.425375D+01
      4  -0.326816D+00 -0.112022D+02  0.304225D+02  0.942278D+01 -0.252985D+01
      5  -0.817648D+01  0.798626D-01 -0.327475D+01 -0.210927D+01  0.384742D+01
      6   0.152618D+02  0.602149D+01  0.284497D+01 -0.335287D+01 -0.214659D+01
                76            77            78            79            80 
      1   0.335089D+02 -0.716375D+02  0.377146D+01  0.126960D+02  0.459682D+01
      2  -0.229305D+02  0.684399D+02 -0.541882D+01 -0.189038D+01 -0.636672D+01
      3  -0.105785D+02  0.319763D+01  0.164735D+01 -0.108056D+02  0.176989D+01
      4  -0.404582D+02  0.219458D+01  0.148683D+01  0.491476D+01 -0.201602D+01
      5   0.442125D+01  0.403325D+01  0.314008D+01  0.318190D+02 -0.204237D+01
      6   0.339521D+01  0.328563D+01 -0.152260D+01 -0.742507D+01  0.427288D+01
                81            82            83            84            85 
      1  -0.303374D+01  0.592943D+02 -0.571010D+02 -0.180111D+01  0.659721D+01
      2  -0.887028D+01 -0.290664D+02  0.422132D+02 -0.129022D+01 -0.194257D+02
      3   0.119040D+02 -0.302279D+02  0.148878D+02  0.309133D+01  0.128285D+02
      4   0.464466D+01 -0.545979D+02  0.441987D+01  0.388758D+01  0.291499D+02
      5  -0.437829D+01  0.155699D+00  0.387128D+01 -0.450684D+01 -0.473669D+00
      6   0.312042D+01  0.129577D+01  0.344351D+01  0.256601D+00  0.195574D+01
                86            87            88            89            90 
      1   0.354961D+02 -0.485118D+00 -0.362840D+01  0.668381D+01 -0.873792D+01
      2  -0.378198D+02  0.454995D+01  0.556634D+00  0.881467D+00 -0.576467D+01
      3   0.232370D+01 -0.406484D+01  0.307176D+01 -0.756527D+01  0.145026D+02
      4  -0.578591D+01 -0.163735D+00  0.763779D+01  0.165359D+01  0.384766D+01
      5   0.868211D-01  0.683551D+01  0.408321D+01  0.994795D+01 -0.899849D+00
      6   0.819009D+00  0.288813D+01  0.296100D+01  0.675453D+01 -0.301225D+01
                91            92            93            94            95 
      1   0.156565D+02  0.860490D+01 -0.511774D+01 -0.297608D+01 -0.132055D+02
      2  -0.817161D+01 -0.283556D+01 -0.530710D+01  0.148236D+02  0.225672D+01
      3  -0.748490D+01 -0.576934D+01  0.104248D+02 -0.118475D+02  0.109487D+02
      4  -0.877165D+01 -0.173861D+02 -0.355268D+01 -0.344575D+02  0.324900D+02
      5   0.340680D+01 -0.334706D+01 -0.120807D+02  0.511752D+01  0.479911D+01
      6  -0.543995D+01  0.326968D+01 -0.389343D+01  0.476434D+01 -0.586911D+01
                96            97            98            99           100 
      1  -0.532296D+01 -0.187660D+02 -0.390404D+01 -0.134106D+02  0.182770D+02
      2  -0.641678D+01  0.601708D+01  0.187425D+00  0.961664D+01 -0.144120D+02
      3   0.117397D+02  0.127489D+02  0.371661D+01  0.379401D+01 -0.386498D+01
      4   0.363361D+01 -0.691384D+01 -0.761085D+00 -0.273312D+02  0.304978D+02
      5  -0.253466D+02 -0.635216D+02 -0.207547D+02  0.862274D+01 -0.140870D+01
      6  -0.429458D+01 -0.123766D+02 -0.551694D+01  0.263948D+01  0.460017D+00
               101           102           103           104           105 
      1   0.335997D+02  0.491236D+00 -0.120655D+01  0.148456D+02 -0.359622D+01
      2  -0.205365D+02  0.181107D+01  0.398212D+01 -0.660293D+01  0.252706D+01
      3  -0.130632D+02 -0.230231D+01 -0.277557D+01 -0.824265D+01  0.106915D+01
      4   0.465288D+01  0.554601D+00  0.415189D+02  0.127383D+02 -0.422457D+01
      5   0.536310D+00  0.286987D+02 -0.524989D+01 -0.245431D+01 -0.106877D+02
      6  -0.178124D+01 -0.460922D+01 -0.189855D+01  0.263974D+00  0.903890D+01
               106           107           108           109           110 
      1   0.145529D+00 -0.387906D+01 -0.106263D+00 -0.630623D+02 -0.482194D+02
      2   0.164418D+01  0.320384D+01 -0.538376D+00  0.391084D+02  0.248253D+02
      3  -0.178971D+01  0.675215D+00  0.644639D+00  0.239539D+02  0.233941D+02
      4  -0.518159D+01  0.168978D-01  0.776865D+01 -0.478284D+02  0.113109D+02
      5   0.900412D+01  0.616550D+01 -0.384311D+01  0.925242D+01  0.924604D+01
      6   0.343442D+01  0.389705D+01 -0.144406D+01  0.263321D+01 -0.183648D+01
               111           112           113           114           115 
      1   0.101025D+02 -0.418198D+02 -0.272131D+00  0.179016D+02  0.550668D+01
      2  -0.618385D+01  0.193152D+02 -0.435566D+00 -0.858260D+01 -0.243818D+01
      3  -0.391861D+01  0.225046D+02  0.707697D+00 -0.931901D+01 -0.306850D+01
      4   0.832261D+01 -0.287249D+02  0.276110D+02  0.104207D+02  0.116571D+02
      5  -0.821404D+01  0.136887D+02  0.992712D+01  0.740363D+02 -0.319262D+02
      6   0.153551D+01  0.149579D+01 -0.536850D+01 -0.210753D+02  0.137921D+02
               116           117           118           119           120 
      1   0.149904D+02 -0.258763D+01  0.363901D+02 -0.136039D+02 -0.171383D+01
      2  -0.783039D+01 -0.143208D+01 -0.121501D+02 -0.234082D+00  0.900564D+00
      3  -0.715999D+01  0.401971D+01 -0.242400D+02  0.138380D+02  0.813262D+00
      4   0.513870D+01  0.509030D+02 -0.323860D+02  0.266391D+02  0.183273D+00
      5   0.542163D+02 -0.156836D+02 -0.143538D+00 -0.999947D+00  0.299471D+01
      6  -0.169492D+02 -0.913413D-01  0.374216D+00  0.155625D+00 -0.166804D+01
               121           122           123           124           125 
      1  -0.168160D+02  0.584459D+01 -0.440644D-02 -0.245752D+01  0.465357D+00
      2  -0.429917D+01  0.153145D+02  0.871211D-02  0.215906D+01 -0.110173D+01
      3   0.211152D+02 -0.211591D+02 -0.430567D-02  0.298464D+00  0.636375D+00
      4   0.396726D+02 -0.449851D+02  0.765401D+00 -0.982670D+00  0.175594D+01
      5  -0.271592D+01  0.298945D+01 -0.482826D+01 -0.168799D+01 -0.120730D+01
      6   0.139135D+01 -0.134040D+01  0.425919D+01  0.973136D+00  0.160191D+01
               126           127           128           129           130 
      1  -0.166795D+01  0.358762D+01  0.796923D+01 -0.658189D+00  0.521805D+01
      2   0.148468D+01  0.384819D+01  0.171916D+01 -0.318280D-01  0.833173D+01
      3   0.183269D+00 -0.743582D+01 -0.968839D+01  0.690017D+00 -0.135498D+02
      4  -0.187530D+01  0.240323D+02  0.238386D+02 -0.378701D+01  0.319395D+02
      5   0.690932D+00 -0.219623D+01 -0.271485D+01  0.362830D+01 -0.308895D+01
      6  -0.532374D+00 -0.172930D+01 -0.199455D+01  0.224343D+01 -0.271821D+01
               131           132           133           134           135 
      1  -0.114925D+02  0.138482D+01 -0.536948D+00  0.321849D+00 -0.107713D+01
      2   0.291750D+02 -0.238478D+01 -0.596851D+00 -0.232608D+01  0.246498D+01
      3  -0.176825D+02  0.999963D+00  0.113380D+01  0.200423D+01 -0.138785D+01
      4   0.550575D+02 -0.684277D+01 -0.495630D+01 -0.741623D+01  0.300734D+01
      5  -0.430973D+01  0.647278D+01  0.305155D+01  0.132145D+01 -0.139719D+01
      6  -0.560911D+01  0.659845D+01  0.298976D+01  0.349134D+01 -0.184852D+01
               136           137           138           139           140 
      1  -0.649674D+01 -0.155994D+02  0.245317D+01 -0.665432D+01 -0.482620D+02
      2   0.708051D+01  0.150649D+02 -0.176387D+01  0.652633D+01  0.579889D+02
      3  -0.583774D+00  0.534450D+00 -0.689295D+00  0.127986D+00 -0.972692D+01
      4  -0.744871D+00  0.525526D+01 -0.854844D-01  0.250135D+01 -0.137812D+02
      5   0.462951D+00  0.374202D+00  0.886725D+00  0.412649D-01  0.394710D+01
      6  -0.133099D+01 -0.289450D+01  0.203102D+01 -0.876873D+00 -0.941922D+01
               141           142           143           144           145 
      1   0.572177D+01  0.124292D+01  0.661175D+01 -0.242311D+01 -0.639972D+01
      2  -0.518906D+01 -0.971904D+00 -0.675030D+01  0.254111D+01  0.983736D+01
      3  -0.532711D+00 -0.271011D+00  0.138546D+00 -0.117998D+00 -0.343764D+01
      4   0.187687D+01  0.184506D+00  0.125644D+01  0.150892D+01  0.775404D+01
      5  -0.205387D+01  0.131913D+01  0.413069D+00 -0.271834D+00  0.147695D+00
      6   0.736308D+01  0.333138D+00  0.370048D+01 -0.170450D+01 -0.963025D+00
               146           147           148           149           150 
      1  -0.107856D+02  0.190929D+01 -0.768082D+01 -0.547047D+02  0.568967D+01
      2   0.166142D+02 -0.201592D+01  0.108481D+02  0.771688D+02 -0.670370D+01
      3  -0.582855D+01  0.106634D+00 -0.316724D+01 -0.224641D+02  0.101403D+01
      4   0.166057D+02 -0.161549D+01  0.918488D+01  0.219472D+02 -0.184136D+01
      5  -0.109519D+00  0.212645D+01 -0.316934D+00  0.110591D+01  0.117692D+01
      6  -0.207255D+01  0.248416D+01 -0.894992D+00 -0.600299D+01  0.829944D+01
               151           152           153           154           155 
      1   0.610966D+00  0.720971D+01 -0.241306D+01  0.226731D+01  0.526327D+01
      2  -0.124859D+01 -0.904808D+01  0.299211D+01  0.104356D+02 -0.160345D+02
      3   0.637619D+00  0.183838D+01 -0.579045D+00 -0.127029D+02  0.107712D+02
      4  -0.114906D+01 -0.350739D+01  0.192008D+01 -0.292270D+02  0.255799D+02
      5  -0.670347D+00  0.202312D+01 -0.915883D+00 -0.167353D+01  0.316824D+00
      6  -0.421415D+00  0.418943D+01 -0.180997D+01  0.248778D+01 -0.212125D+01
               156           157           158           159           160 
      1  -0.246640D-01  0.107781D+02 -0.207579D+02 -0.713600D-01 -0.181671D+01
      2   0.120745D+00 -0.238573D+02  0.380303D+02  0.106950D+00  0.199732D+01
      3  -0.960809D-01  0.130793D+02 -0.172724D+02 -0.355898D-01 -0.180615D+00
      4   0.538987D+00  0.290273D+02 -0.356968D+02  0.137961D+00 -0.294229D+00
      5   0.337380D+01 -0.530908D+00  0.260999D+00 -0.353278D+01  0.686611D-01
      6  -0.318053D+01 -0.102446D+01  0.236113D+01  0.550129D+01  0.146428D+01
               161           162           163           164           165 
      1   0.144166D+01 -0.386528D+00  0.325962D+01  0.460180D-02 -0.224164D-01
      2  -0.207522D+01  0.155408D+01 -0.122027D+01  0.653614D+00  0.501283D+00
      3   0.633563D+00 -0.116755D+01 -0.203936D+01 -0.658216D+00 -0.478867D+00
      4   0.114686D+01 -0.213961D+01  0.633547D+01  0.786585D+01 -0.113944D+01
      5  -0.209253D+01  0.489167D+00 -0.173260D+01 -0.163250D+01  0.252971D+01
      6   0.281770D+01 -0.612469D+00 -0.152179D+01 -0.129873D+01  0.109969D+01
               166           167           168           169           170 
      1  -0.399957D+01 -0.169248D+02  0.280262D+01  0.189212D+01  0.116118D+01
      2   0.576670D+01  0.197606D+02 -0.144788D+01 -0.124793D+01 -0.123180D+01
      3  -0.176713D+01 -0.283581D+01 -0.135474D+01 -0.644196D+00  0.706156D-01
      4   0.115307D+02  0.165928D+02 -0.207621D+01 -0.104799D+01 -0.165356D+01
      5  -0.198051D+01 -0.168529D+01  0.321031D+01  0.336912D+01  0.399213D+00
      6  -0.294022D+01 -0.622358D+01  0.516205D+01  0.223407D+01  0.247127D+01
               171           172           173           174           175 
      1  -0.149632D+01  0.146046D+02 -0.134070D+02 -0.840936D+00 -0.185559D+02
      2   0.208849D+01 -0.207731D+01  0.385213D+01  0.882830D+00  0.513765D+01
      3  -0.592176D+00 -0.125273D+02  0.955491D+01 -0.418944D-01  0.134182D+02
      4   0.187649D+01 -0.234490D+02  0.200975D+02  0.275572D+01  0.263648D+02
      5   0.228021D+00 -0.397785D+01  0.358864D+01  0.828059D+01  0.650563D+01
      6  -0.943615D+00  0.409616D+01 -0.291205D+01 -0.407983D+00 -0.414943D+01
               176           177           178           179           180 
      1   0.616884D+01  0.489762D+00 -0.193767D+00  0.103293D+01  0.296551D+01
      2   0.944526D+01  0.220656D+00  0.132853D+01 -0.128362D+01 -0.139919D+01
      3  -0.156141D+02 -0.710418D+00 -0.113477D+01  0.250689D+00 -0.156632D+01
      4  -0.422266D+02 -0.382218D+01  0.381590D+01 -0.265462D+01 -0.501034D+01
      5  -0.485569D+01 -0.817086D+01  0.108599D+02 -0.453269D+01 -0.335218D+01
      6   0.860991D+01  0.405658D+01 -0.237413D+01  0.587609D+01  0.209603D+01
               181           182           183           184           185 
      1  -0.899136D+02 -0.154288D+02  0.321194D+02 -0.104015D+02  0.225416D+02
      2   0.488905D+02  0.144047D+02 -0.513427D+01  0.351694D+01 -0.161601D+02
      3   0.410232D+02  0.102407D+01 -0.269851D+02  0.688459D+01 -0.638150D+01
      4  -0.183020D+02  0.129964D+02  0.619513D+01  0.187448D+02 -0.175462D+02
      5   0.431428D+02  0.815194D+01  0.122067D+02 -0.456191D+01 -0.484095D+01
      6   0.444303D+01 -0.833999D+01 -0.695167D+00 -0.949299D+01  0.104851D+02
               186           187           188           189           190 
      1   0.166933D+02  0.984533D+01  0.123958D+02  0.242994D+02 -0.252547D+02
      2   0.992160D+01  0.881487D+01  0.474252D+01 -0.125977D+01  0.270177D+02
      3  -0.266149D+02 -0.186602D+02 -0.171383D+02 -0.230396D+02 -0.176296D+01
      4   0.991354D+00 -0.761071D+01  0.572008D+00  0.271987D+02  0.150953D+02
      5   0.334756D+02  0.324503D+02  0.206157D+02 -0.561034D+01 -0.380442D+02
      6   0.234066D+01  0.734308D+01  0.206466D+01 -0.179336D+02  0.528286D+01
               191           192           193           194           195 
      1   0.622076D+01 -0.136706D+02  0.264955D+02  0.423450D+01  0.150202D+02
      2  -0.392766D+01  0.185319D+02 -0.307042D+02 -0.984061D+01 -0.188324D+02
      3  -0.229310D+01 -0.486130D+01  0.420871D+01  0.560611D+01  0.381219D+01
      4  -0.127830D+01  0.843220D+01  0.621323D+01 -0.588403D+01  0.272288D+01
      5   0.908466D+01 -0.168498D+02  0.292510D+02  0.293499D+00  0.450707D+02
      6  -0.532115D+01  0.624902D+01  0.362495D+01  0.201229D+01  0.309782D+00
               196           197           198           199           200 
      1  -0.394663D+02  0.110541D+02 -0.763057D+01  0.195571D+03  0.237671D+02
      2   0.316679D+02 -0.104435D+02  0.187952D+02 -0.104289D+03 -0.132427D+02
      3   0.779833D+01 -0.610648D+00 -0.111646D+02 -0.912819D+02 -0.105243D+02
      4   0.193814D+02 -0.212010D+02  0.284242D+02  0.238575D+02  0.159759D+02
      5  -0.188166D+02  0.262415D+02 -0.213913D+02 -0.209786D+02 -0.274151D+01
      6   0.112742D+02 -0.565651D+01  0.125567D+02 -0.343102D+00 -0.687729D+00
               201           202           203           204           205 
      1  -0.165175D+02  0.661307D+02  0.211241D+02 -0.613159D+01 -0.205507D+02
      2   0.991462D+01 -0.355629D+02 -0.108425D+02  0.380876D+01  0.126203D+02
      3   0.660291D+01 -0.305678D+02 -0.102816D+02  0.232283D+01  0.793046D+01
      4  -0.238868D+01  0.260857D+02  0.171950D+02 -0.379631D+01 -0.284042D+01
      5   0.184596D+02 -0.730854D+01 -0.395049D+01  0.465038D+01  0.262473D+02
      6  -0.487731D+00 -0.121959D+01 -0.628700D+00  0.186487D+01 -0.226210D+00
               206           207           208           209           210 
      1  -0.322231D+01  0.177585D+02 -0.573196D+00 -0.406434D+01 -0.124568D+02
      2   0.209036D+01 -0.105978D+02 -0.441981D-01  0.219767D+01  0.540991D+01
      3   0.113195D+01 -0.716079D+01  0.617394D+00  0.186668D+01  0.704686D+01
      4  -0.335729D+01 -0.103807D+01 -0.808928D+00 -0.192858D+01  0.147568D+01
      5  -0.121887D+01 -0.586359D+01 -0.998353D+01  0.646003D+00 -0.265563D+01
      6   0.272154D+01 -0.724620D-01  0.238670D+01  0.105884D+01  0.214819D+01
               211           212           213           214           215 
      1  -0.175227D+02  0.266067D+01  0.338052D+00 -0.321580D+02  0.189791D+01
      2   0.717807D+01  0.490399D+01  0.148324D+01  0.179551D+02 -0.523744D+00
      3   0.103446D+02 -0.756466D+01 -0.182129D+01  0.142028D+02 -0.137417D+01
      4   0.304230D+02 -0.431893D+02 -0.290176D+02  0.216728D+02 -0.294399D+02
      5   0.181392D+02 -0.293168D+02 -0.355038D+02  0.336747D+02 -0.352840D+02
      6  -0.843186D+01  0.142116D+02  0.145086D+02 -0.111872D+02  0.148654D+02
               216           217           218           219           220 
      1   0.191298D+01  0.148410D+02 -0.451111D+01  0.137117D+02 -0.172806D+02
      2  -0.694151D+01 -0.760978D+01  0.186834D+01 -0.630175D+01  0.655949D+01
      3   0.502853D+01 -0.723125D+01  0.264276D+01 -0.740992D+01  0.107211D+02
      4  -0.331558D+02 -0.489109D+01  0.219912D+01 -0.715523D+01  0.282322D+02
      5  -0.473423D+02  0.163790D+02 -0.664234D+01  0.446543D+01 -0.196230D+02
      6   0.159933D+02 -0.371743D+01  0.132541D+01  0.187251D+00  0.557500D+01
               221           222           223           224           225 
      1   0.917888D+01 -0.865777D+01  0.492353D+02 -0.131919D+02  0.132437D+02
      2  -0.292833D-01  0.172503D+01 -0.269325D+02  0.512133D+01 -0.113146D+02
      3  -0.914960D+01  0.693274D+01 -0.223028D+02  0.807053D+01 -0.192905D+01
      4  -0.300170D+02  0.204387D+02 -0.283019D+02  0.260085D+02 -0.303854D+02
      5   0.216177D+02 -0.305281D+02  0.431887D+02 -0.333862D+02  0.617214D+02
      6  -0.700745D+01  0.104480D+02 -0.110125D+02  0.111149D+02 -0.135945D+02
               226           227           228           229           230 
      1  -0.585415D+00 -0.369706D+01 -0.195651D+02 -0.581402D+01 -0.109721D+02
      2  -0.358158D+01 -0.584679D+00 -0.981824D+00  0.438628D+01  0.725405D+00
      3   0.416700D+01  0.428173D+01  0.205469D+02  0.142774D+01  0.102467D+02
      4  -0.195262D+01 -0.360325D+01 -0.276729D+01 -0.182828D+01 -0.741547D+01
      5  -0.548570D+01 -0.446893D+00 -0.728466D+01  0.617562D+01 -0.775737D+01
      6   0.157619D+01  0.345420D+01  0.161830D+01  0.740217D+00  0.660847D+01
               231           232           233           234           235 
      1  -0.135589D+02 -0.109137D+02 -0.884990D+01 -0.365288D+02  0.843446D+00
      2  -0.750455D+01  0.510317D+01 -0.396993D+01 -0.192047D+02  0.191813D+01
      3   0.210635D+02  0.581049D+01  0.128198D+02  0.557335D+02 -0.276157D+01
      4  -0.106843D+02 -0.120491D+01 -0.851246D+01 -0.128906D+02  0.420174D+01
      5  -0.231829D+02  0.702608D+01 -0.953456D+01 -0.450188D+02  0.363742D+00
      6   0.984880D+01  0.569996D+00  0.818159D+01  0.802564D+01 -0.257647D+01
               236           237           238           239           240 
      1   0.104202D+02 -0.603488D+01  0.123599D+02 -0.208038D+02  0.420176D+01
      2  -0.785056D+01 -0.274445D+00 -0.764051D+01  0.223711D+02 -0.393175D+00
      3  -0.256960D+01  0.630933D+01 -0.471938D+01 -0.156731D+01 -0.380858D+01
      4  -0.569530D+01  0.125280D+01  0.397012D+01  0.332719D+02 -0.750915D+01
      5  -0.136265D+01 -0.487421D+01 -0.833701D+01 -0.328856D+01  0.896530D+01
      6   0.572557D+01 -0.264732D+01  0.108877D+00 -0.217883D+02  0.870220D+01
               241           242           243           244           245 
      1   0.666018D+00  0.230520D+01 -0.785621D+01  0.121388D+03  0.112856D+02
      2  -0.187101D+01 -0.715484D+00  0.282665D+01 -0.712138D+02 -0.582554D+01
      3   0.120499D+01 -0.158971D+01  0.502956D+01 -0.501745D+02 -0.546003D+01
      4   0.143506D+01 -0.123149D+01  0.168802D+01  0.270413D+02  0.145088D+02
      5  -0.255342D+01  0.171975D+01  0.836535D+00 -0.697383D+02 -0.841278D+01
      6  -0.895114D+00  0.499673D+01 -0.131606D+01 -0.681625D+01 -0.503553D+01
               246           247           248           249           250 
      1  -0.240820D+02  0.823950D+01  0.833733D+01 -0.254430D+01 -0.694342D+01
      2   0.203545D+02 -0.350642D+01 -0.329507D+01 -0.408367D-01  0.906430D+01
      3   0.372746D+01 -0.473308D+01 -0.504226D+01  0.258514D+01 -0.212088D+01
      4  -0.721276D+01  0.172791D+02  0.704844D+01 -0.485145D+01 -0.142134D+01
      5   0.314509D+02 -0.447675D+01 -0.660618D+01 -0.369191D+00  0.212868D+02
      6   0.387513D+01 -0.554355D+01 -0.297451D+01  0.306380D+01  0.264176D+01
               251           252           253           254           255 
      1  -0.157886D+01  0.913592D+01  0.778741D+02 -0.224478D+02  0.327649D+02
      2   0.232456D+00 -0.100043D+02 -0.517008D+02  0.126182D+02 -0.248228D+02
      3   0.134640D+01  0.868350D+00 -0.261733D+02  0.982956D+01 -0.794203D+01
      4  -0.171079D+01  0.532194D+00 -0.247104D+02  0.211701D+02 -0.781134D+01
      5   0.104029D+01 -0.123711D+02  0.586038D+02 -0.121777D+02  0.395979D+02
      6   0.165118D+01 -0.197936D+00 -0.759899D+01  0.718460D+01 -0.420704D+01
               256           257           258           259           260 
      1  -0.433586D+02  0.113617D+02 -0.899156D+01  0.516044D+02 -0.512062D+01
      2   0.325244D+02 -0.660867D+01  0.152797D+02 -0.467302D+02  0.102442D+02
      3   0.108341D+02 -0.475301D+01 -0.628816D+01 -0.487417D+01 -0.512354D+01
      4   0.229909D+02 -0.351107D+02  0.208371D+02 -0.117811D+02  0.283204D+02
      5  -0.347682D+02  0.213566D+02 -0.355396D+02  0.720730D+02 -0.252278D+02
      6   0.945684D+01 -0.141731D+02  0.134438D+02 -0.509053D+01  0.160635D+02
               261           262           263           264           265 
      1   0.143993D+02 -0.169164D+01  0.117110D+02  0.998731D+00  0.159190D+02
      2  -0.407013D+02  0.468517D+01 -0.519621D+01 -0.229600D+00 -0.525809D+01
      3   0.263020D+02 -0.299353D+01 -0.651483D+01 -0.769131D+00 -0.106609D+02
      4  -0.241486D+02 -0.339753D+00 -0.172512D+01 -0.121274D+02  0.130527D+02
      5   0.733362D+02 -0.909375D+01 -0.817425D+01 -0.100779D+02 -0.773234D+01
      6  -0.131497D+02 -0.322414D+01 -0.626853D+01 -0.883649D+01 -0.573244D+01
               266           267           268           269           270 
      1  -0.108843D+02 -0.482706D+01 -0.623657D+01 -0.581632D+01 -0.698851D+01
      2   0.289320D+02  0.439866D+01  0.268914D+01  0.178502D+01  0.615433D+01
      3  -0.180478D+02  0.428393D+00  0.354743D+01  0.403129D+01  0.834179D+00
      4   0.301381D+02 -0.129102D+02 -0.241438D+02 -0.241988D+02 -0.202238D+02
      5  -0.126083D+02 -0.134890D+02 -0.200458D+02 -0.183844D+02 -0.375213D+02
      6   0.331186D+01 -0.120047D+01 -0.141942D+02 -0.735640D+01 -0.181669D+02
               271           272           273           274           275 
      1   0.917385D+01  0.738231D+01  0.773441D+01  0.342963D+01 -0.286224D+01
      2  -0.429824D+01 -0.329348D+01 -0.471033D+01  0.976558D+00  0.626518D+01
      3  -0.487561D+01 -0.408883D+01 -0.302409D+01 -0.440619D+01 -0.340294D+01
      4   0.180215D+02  0.157372D+02  0.136178D+02  0.146880D+02  0.239764D+02
      5   0.157984D+02  0.122619D+02  0.164019D+02  0.951749D+01  0.129510D+02
      6   0.908740D+01  0.679751D+01  0.764946D+01  0.698042D+01  0.124510D+02
               276           277           278           279 
      1  -0.150203D+01  0.632754D+01 -0.182438D+01 -0.236423D+01
      2   0.260779D+01 -0.600716D+01 -0.646284D-01 -0.661052D+01
      3  -0.110576D+01 -0.320376D+00  0.188901D+01  0.897475D+01
      4   0.140826D+02  0.246252D+02  0.305080D+02  0.315524D+02
      5   0.142837D+02  0.291967D+02  0.285483D+02  0.441928D+02
      6   0.105891D+02  0.156986D+02  0.200759D+02  0.252123D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128635D+01      0.326958D+01      0.109061D+02
   x          0.785317D+00      0.199608D+01      0.665820D+01
   y         -0.909047D+00     -0.231057D+01     -0.770722D+01
   z          0.460015D+00      0.116924D+01      0.390017D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183740D+03      0.272275D+02      0.302947D+02
   aniso      0.141738D+03      0.210033D+02      0.233694D+02
   xx         0.270360D+03      0.400631D+02      0.445763D+02
   yx        -0.156600D+02     -0.232057D+01     -0.258198D+01
   yy         0.167803D+03      0.248658D+02      0.276669D+02
   zx        -0.741308D+01     -0.109851D+01     -0.122225D+01
   zy        -0.446929D+01     -0.662280D+00     -0.736886D+00
   zz         0.113059D+03      0.167537D+02      0.186410D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.203606D+03      0.301713D+02      0.335702D+02
   aniso      0.168654D+03      0.249919D+02      0.278073D+02
   xx         0.306812D+03      0.454648D+02      0.505864D+02
   yx        -0.206540D+02     -0.306061D+01     -0.340539D+01
   yy         0.183200D+03      0.271475D+02      0.302056D+02
   zx        -0.824719D+01     -0.122211D+01     -0.135978D+01
   zy        -0.500133D+01     -0.741120D+00     -0.824608D+00
   zz         0.120807D+03      0.179017D+02      0.199184D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          4.75335576          1.98501129          3.69511908
     6          3.07281354          0.36052557          4.99247124
     6          4.23262703          2.71515831          1.25347388
     6          2.03700288          1.86505548          0.01517188
     6          0.33123038          0.22805073          1.31453043
     6          0.92371581         -0.48457216          3.81547876
     6          1.44118965          2.56875924         -2.49775421
     6         -0.71048013          1.70551346         -3.64224433
     6         -2.41986490          0.09442741         -2.36014214
     6         -1.87475247         -0.62281730          0.07274424
     6         -4.78465625         -0.80857364         -3.72124387
     8          6.92114707          2.90218532          4.73587398
     6          7.54762394          2.20076193          7.24295826
     1          3.46617440         -0.22304493          6.90735264
     1          5.54144705          3.95678366          0.29000863
     1         -0.35667870         -1.72777059          4.81811904
     1          2.72076872          3.80502658         -3.50908439
     1         -1.12765291          2.25557151         -5.56883230
     1         -3.13045948         -1.88293688          1.08285368
     1         -4.89233576          0.19394207         -5.51621761
     6         -7.21859209         -0.33599156         -2.22564878
     6         -4.45852275         -3.56168229         -4.46035206
     1          9.32653135          3.13960482          7.66225343
     1          7.79904654          0.15657394          7.41879616
     1          6.11147011          2.83171837          8.58919149
     1         -7.41593426          1.68082531         -1.85505838
     1         -7.20189090         -1.32842694         -0.42475833
     1         -8.86788853         -0.97029143         -3.28856086
     8         -3.82441436         -4.29400289         -6.51688590
     8         -4.92369910         -5.16892291         -2.52216892
     1         -4.59302439         -6.85939875         -3.14800340

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128635D+01      0.326958D+01      0.109061D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.128635D+01      0.326958D+01      0.109061D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183740D+03      0.272275D+02      0.302947D+02
   aniso      0.141738D+03      0.210033D+02      0.233694D+02
   xx         0.202455D+03      0.300008D+02      0.333804D+02
   yx         0.368575D+02      0.546172D+01      0.607698D+01
   yy         0.137206D+03      0.203318D+02      0.226222D+02
   zx         0.607678D+02      0.900485D+01      0.100193D+02
   zy         0.716465D+00      0.106169D+00      0.118129D+00
   zz         0.211560D+03      0.313500D+02      0.348815D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.203606D+03      0.301713D+02      0.335702D+02
   aniso      0.168654D+03      0.249919D+02      0.278073D+02
   xx         0.224725D+03      0.333009D+02      0.370522D+02
   yx         0.420374D+02      0.622930D+01      0.693103D+01
   yy         0.148053D+03      0.219392D+02      0.244107D+02
   zx         0.731589D+02      0.108410D+02      0.120623D+02
   zy         0.175293D+01      0.259757D+00      0.289019D+00
   zz         0.238041D+03      0.352740D+02      0.392476D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K07-14\Freq\RB3LYP\Gen\C14H14O3\PIERPA\23-Sep-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,3.35238,0.081536,-0.094047\C,2.853162,-1.229651,0.086888\
 C,2.486454,1.151296,-0.114829\C,1.100546,0.960772,0.042252\C,0.590185,
 -0.359596,0.227036\C,1.505764,-1.433604,0.242412\C,0.17832,2.035716,0.
 022349\C,-1.162617,1.813105,0.178068\C,-1.675581,0.507253,0.370446\C,-
 0.800954,-0.550815,0.386518\C,-3.175,0.316508,0.539158\O,4.675062,0.36
 3691,-0.254438\C,5.607556,-0.703149,-0.244694\H,3.524663,-2.074808,0.1
 03947\H,2.88645,2.147038,-0.255665\H,1.129072,-2.439742,0.38089\H,0.55
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0EVERYBODY IS IGNORANT, ONLY ON DIFFERENT SUBJECTS.
0          WILL ROGERS
 Job cpu time:       0 days 14 hours 18 minutes  4.9 seconds.
 Elapsed time:       0 days  1 hours 47 minutes 18.4 seconds.
 File lengths (MBytes):  RWF=    649 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Thu Sep 23 14:50:48 2021.
